data_16519 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16519 _Entry.Title ; Solution structure of human SDF1-alpha H25R ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-09-24 _Entry.Accession_date 2009-09-24 _Entry.Last_release_date 2012-08-03 _Entry.Original_release_date 2012-08-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 B. Volkman B. F. . 16519 2 J. Ziarek J. J. . 16519 3 F. Peterson F. C. . 16519 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 16519 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID chemokine . 16519 NMR . 16519 SDF1-alpha . 16519 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16519 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 319 16519 '15N chemical shifts' 77 16519 '1H chemical shifts' 531 16519 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-08-03 2009-09-24 original author . 16519 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KOL 'BMRB Entry Tracking System' 16519 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 16519 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title TBD _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 J. Ziarek J. J. . 16519 1 2 C. Veldkamp C. T. . 16519 1 3 F. Peterson F. C. . 16519 1 4 B. Volkman B. F. . 16519 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16519 _Assembly.ID 1 _Assembly.Name 'SDF1a H25R' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'SDF1a H25R' 1 $SDF1a_H25R A . yes native no no . . . 16519 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 9 9 SG . 1 . 1 CYS 34 34 SG . . . . . . . . . . 16519 1 2 disulfide single . 1 . 1 CYS 11 11 SG . 1 . 1 CYS 50 50 SG . . . . . . . . . . 16519 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SDF1a_H25R _Entity.Sf_category entity _Entity.Sf_framecode SDF1a_H25R _Entity.Entry_ID 16519 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SDF1a_H25R _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; KPVSLSYRCPCRFFESHVAR ANVKRLKILNTPNCALQIVA RLKNNNRQVCIDPKLKWIQE YLEKALNK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 68 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment SDF1a _Entity.Mutation H25R _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7997.572 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16142 . CXCL12/SDF1-alpha . . . . . 100.00 70 98.53 98.53 1.18e-39 . . . . 16519 1 2 no BMRB 16143 . CXCL12/SDF1-alpha . . . . . 100.00 70 98.53 98.53 1.18e-39 . . . . 16519 1 3 no BMRB 16145 . CXCL12/SDF1-alpha . . . . . 100.00 70 98.53 98.53 1.49e-39 . . . . 16519 1 4 no PDB 1A15 . Sdf-1alpha . . . . . 98.53 67 97.01 97.01 6.46e-38 . . . . 16519 1 5 no PDB 1QG7 . "Stroma Cell-derived Factor-1alpha (sdf-1alpha)" . . . . . 98.53 67 98.51 98.51 7.84e-39 . . . . 16519 1 6 no PDB 1SDF . "Solution Structure Of Stromal Cell-Derived Factor-1 (Sdf-1), Nmr, Minimized Average Structure" . . . . . 98.53 67 98.51 98.51 7.84e-39 . . . . 16519 1 7 no PDB 1VMC . "Stroma Cell-Derived Factor-1alpha (Sdf-1alpha)" . . . . . 100.00 71 98.53 98.53 1.51e-39 . . . . 16519 1 8 no PDB 2J7Z . "Crystal Structure Of Recombinant Human Stromal Cell-Derived Factor-1alpha" . . . . . 100.00 68 98.53 98.53 1.75e-39 . . . . 16519 1 9 no PDB 2KEC . "Structure Of Sdf-1CXCL12" . . . . . 100.00 70 98.53 98.53 1.18e-39 . . . . 16519 1 10 no PDB 2KED . "Structure Of Sdf-1CXCL12" . . . . . 100.00 70 98.53 98.53 1.18e-39 . . . . 16519 1 11 no PDB 2KEE . "Structure Of Sdf-1CXCL12" . . . . . 100.00 70 98.53 98.53 1.49e-39 . . . . 16519 1 12 no PDB 2KOL . "Solution Structure Of Human Sdf1-Alpha H25r" . . . . . 100.00 68 100.00 100.00 3.29e-40 . . . . 16519 1 13 no PDB 2NWG . "Structure Of Cxcl12:heparin Disaccharide Complex" . . . . . 98.53 68 97.01 98.51 9.57e-39 . . . . 16519 1 14 no PDB 2SDF . "Solution Nmr Structure Of Stromal Cell-Derived Factor-1 (Sdf-1), 30 Structures" . . . . . 98.53 67 98.51 98.51 7.84e-39 . . . . 16519 1 15 no PDB 3HP3 . "Crystal Structure Of Cxcl12" . . . . . 98.53 68 98.51 98.51 5.74e-39 . . . . 16519 1 16 no PDB 4LMQ . "Development And Preclinical Characterization Of A Humanized Antibody Targeting Cxcl12" . . . . . 89.71 61 98.36 98.36 4.11e-34 . . . . 16519 1 17 no PDB 4UAI . "Crystal Structure Of Cxcl12 In Complex With Inhibitor" . . . . . 100.00 68 98.53 98.53 1.75e-39 . . . . 16519 1 18 no DBJ BAA04648 . "pre-B cell growth stimulating factor [Mus musculus]" . . . . . 100.00 89 97.06 98.53 8.78e-40 . . . . 16519 1 19 no DBJ BAA07862 . "thymic lymphoma cell stimulating factor alpha precursor [Mus musculus]" . . . . . 100.00 89 97.06 98.53 8.78e-40 . . . . 16519 1 20 no DBJ BAA07863 . "tymic lymphoma cell stimulating factor beta precursor [Mus musculus]" . . . . . 100.00 93 97.06 98.53 7.49e-40 . . . . 16519 1 21 no DBJ BAA28601 . "stromal cell-derived factor-1 a [Felis catus]" . . . . . 100.00 89 98.53 98.53 5.21e-40 . . . . 16519 1 22 no DBJ BAA28602 . "stromal cell-derived factor-1 b [Felis catus]" . . . . . 100.00 93 98.53 98.53 5.71e-40 . . . . 16519 1 23 no EMBL CAG29279 . "CXCL12 [Homo sapiens]" . . . . . 100.00 89 98.53 98.53 6.07e-40 . . . . 16519 1 24 no EMBL CAH91884 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 93 97.06 98.53 2.04e-39 . . . . 16519 1 25 no EMBL CAJ18596 . "Cxcl12 [Mus musculus]" . . . . . 100.00 93 97.06 98.53 7.49e-40 . . . . 16519 1 26 no GB AAA40100 . "cytokine [Mus musculus]" . . . . . 100.00 89 97.06 98.53 8.78e-40 . . . . 16519 1 27 no GB AAA40101 . "cytokine [Mus musculus]" . . . . . 100.00 93 97.06 98.53 7.49e-40 . . . . 16519 1 28 no GB AAA97434 . "cytokine SDF-1-beta [Homo sapiens]" . . . . . 100.00 93 98.53 98.53 6.50e-40 . . . . 16519 1 29 no GB AAB32650 . "interleukin-8 homolog [Mus sp.]" . . . . . 100.00 89 97.06 98.53 8.78e-40 . . . . 16519 1 30 no GB AAB39332 . "pre-B cell stimulating factor homologue [Homo sapiens]" . . . . . 100.00 93 98.53 98.53 6.50e-40 . . . . 16519 1 31 no PIR I53416 . "interleukin-8 homolog - mouse" . . . . . 100.00 89 97.06 98.53 8.78e-40 . . . . 16519 1 32 no REF NP_000600 . "stromal cell-derived factor 1 isoform beta precursor [Homo sapiens]" . . . . . 100.00 93 98.53 98.53 6.50e-40 . . . . 16519 1 33 no REF NP_001009847 . "stromal cell-derived factor 1 precursor [Felis catus]" . . . . . 100.00 93 98.53 98.53 5.71e-40 . . . . 16519 1 34 no REF NP_001012495 . "stromal cell-derived factor 1 isoform gamma precursor [Mus musculus]" . . . . . 100.00 119 97.06 98.53 5.14e-40 . . . . 16519 1 35 no REF NP_001028106 . "stromal cell-derived factor 1 precursor [Macaca mulatta]" . . . . . 100.00 89 98.53 98.53 5.33e-40 . . . . 16519 1 36 no REF NP_001029058 . "stromal cell-derived factor 1 isoform gamma precursor [Homo sapiens]" . . . . . 100.00 119 98.53 98.53 4.46e-40 . . . . 16519 1 37 no SP O62657 . "RecName: Full=Stromal cell-derived factor 1; Short=SDF-1; AltName: Full=C-X-C motif chemokine 12; Flags: Precursor" . . . . . 100.00 93 98.53 98.53 5.71e-40 . . . . 16519 1 38 no SP P40224 . "RecName: Full=Stromal cell-derived factor 1; Short=SDF-1; AltName: Full=12-O-tetradecanoylphorbol 13-acetate repressed protein " . . . . . 100.00 93 97.06 98.53 7.49e-40 . . . . 16519 1 39 no SP P48061 . "RecName: Full=Stromal cell-derived factor 1; Short=SDF-1; Short=hSDF-1; AltName: Full=C-X-C motif chemokine 12; AltName: Full=I" . . . . . 100.00 93 98.53 98.53 6.50e-40 . . . . 16519 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . LYS . 16519 1 2 . PRO . 16519 1 3 . VAL . 16519 1 4 . SER . 16519 1 5 . LEU . 16519 1 6 . SER . 16519 1 7 . TYR . 16519 1 8 . ARG . 16519 1 9 . CYS . 16519 1 10 . PRO . 16519 1 11 . CYS . 16519 1 12 . ARG . 16519 1 13 . PHE . 16519 1 14 . PHE . 16519 1 15 . GLU . 16519 1 16 . SER . 16519 1 17 . HIS . 16519 1 18 . VAL . 16519 1 19 . ALA . 16519 1 20 . ARG . 16519 1 21 . ALA . 16519 1 22 . ASN . 16519 1 23 . VAL . 16519 1 24 . LYS . 16519 1 25 . ARG . 16519 1 26 . LEU . 16519 1 27 . LYS . 16519 1 28 . ILE . 16519 1 29 . LEU . 16519 1 30 . ASN . 16519 1 31 . THR . 16519 1 32 . PRO . 16519 1 33 . ASN . 16519 1 34 . CYS . 16519 1 35 . ALA . 16519 1 36 . LEU . 16519 1 37 . GLN . 16519 1 38 . ILE . 16519 1 39 . VAL . 16519 1 40 . ALA . 16519 1 41 . ARG . 16519 1 42 . LEU . 16519 1 43 . LYS . 16519 1 44 . ASN . 16519 1 45 . ASN . 16519 1 46 . ASN . 16519 1 47 . ARG . 16519 1 48 . GLN . 16519 1 49 . VAL . 16519 1 50 . CYS . 16519 1 51 . ILE . 16519 1 52 . ASP . 16519 1 53 . PRO . 16519 1 54 . LYS . 16519 1 55 . LEU . 16519 1 56 . LYS . 16519 1 57 . TRP . 16519 1 58 . ILE . 16519 1 59 . GLN . 16519 1 60 . GLU . 16519 1 61 . TYR . 16519 1 62 . LEU . 16519 1 63 . GLU . 16519 1 64 . LYS . 16519 1 65 . ALA . 16519 1 66 . LEU . 16519 1 67 . ASN . 16519 1 68 . LYS . 16519 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . LYS 1 1 16519 1 . PRO 2 2 16519 1 . VAL 3 3 16519 1 . SER 4 4 16519 1 . LEU 5 5 16519 1 . SER 6 6 16519 1 . TYR 7 7 16519 1 . ARG 8 8 16519 1 . CYS 9 9 16519 1 . PRO 10 10 16519 1 . CYS 11 11 16519 1 . ARG 12 12 16519 1 . PHE 13 13 16519 1 . PHE 14 14 16519 1 . GLU 15 15 16519 1 . SER 16 16 16519 1 . HIS 17 17 16519 1 . VAL 18 18 16519 1 . ALA 19 19 16519 1 . ARG 20 20 16519 1 . ALA 21 21 16519 1 . ASN 22 22 16519 1 . VAL 23 23 16519 1 . LYS 24 24 16519 1 . ARG 25 25 16519 1 . LEU 26 26 16519 1 . LYS 27 27 16519 1 . ILE 28 28 16519 1 . LEU 29 29 16519 1 . ASN 30 30 16519 1 . THR 31 31 16519 1 . PRO 32 32 16519 1 . ASN 33 33 16519 1 . CYS 34 34 16519 1 . ALA 35 35 16519 1 . LEU 36 36 16519 1 . GLN 37 37 16519 1 . ILE 38 38 16519 1 . VAL 39 39 16519 1 . ALA 40 40 16519 1 . ARG 41 41 16519 1 . LEU 42 42 16519 1 . LYS 43 43 16519 1 . ASN 44 44 16519 1 . ASN 45 45 16519 1 . ASN 46 46 16519 1 . ARG 47 47 16519 1 . GLN 48 48 16519 1 . VAL 49 49 16519 1 . CYS 50 50 16519 1 . ILE 51 51 16519 1 . ASP 52 52 16519 1 . PRO 53 53 16519 1 . LYS 54 54 16519 1 . LEU 55 55 16519 1 . LYS 56 56 16519 1 . TRP 57 57 16519 1 . ILE 58 58 16519 1 . GLN 59 59 16519 1 . GLU 60 60 16519 1 . TYR 61 61 16519 1 . LEU 62 62 16519 1 . GLU 63 63 16519 1 . LYS 64 64 16519 1 . ALA 65 65 16519 1 . LEU 66 66 16519 1 . ASN 67 67 16519 1 . LYS 68 68 16519 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16519 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $SDF1a_H25R . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16519 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 16519 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $SDF1a_H25R . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli SG130099[pREP4] . . . . . . . . . . . . . . . pQE30-8HT . . . . . . 16519 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16519 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '3.3 mM SDF1a H25R U-15N/13C, 25 mM deuterated MES' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O, 10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'SDF1a H25R' '[U-100% 13C; U-100% 15N]' . . 1 $SDF1a_H25R . . 3.3 . . mM . . . . 16519 1 2 MES '[U-99% 2H]' . . . . . . 25 . . mM . . . . 16519 1 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 16519 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16519 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16519 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16519 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 16519 1 pH 6.8 . pH 16519 1 pressure 1 . atm 16519 1 temperature 298 . K 16519 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16519 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 16519 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16519 1 stop_ save_ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 16519 _Software.ID 2 _Software.Name NMRPipe _Software.Version 2007 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delagio,F. et al.' . . 16519 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16519 2 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 16519 _Software.ID 3 _Software.Name XEASY _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Eccles, C., Guntert, P., Billeter, M., Wuthrich, K.' . . 16519 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16519 3 stop_ save_ save_SPSCAN _Software.Sf_category software _Software.Sf_framecode SPSCAN _Software.Entry_ID 16519 _Software.ID 4 _Software.Name SPSCAN _Software.Version 1.1.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'R.W. Glaser' . . 16519 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16519 4 stop_ save_ save_GARANT _Software.Sf_category software _Software.Sf_framecode GARANT _Software.Entry_ID 16519 _Software.ID 5 _Software.Name GARANT _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'C. Bartels' . . 16519 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16519 5 stop_ save_ save_Cyana _Software.Sf_category software _Software.Sf_framecode Cyana _Software.Entry_ID 16519 _Software.ID 6 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 16519 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structural calculation' 16519 6 stop_ save_ save_Xplor-NIH _Software.Sf_category software _Software.Sf_framecode Xplor-NIH _Software.Entry_ID 16519 _Software.ID 7 _Software.Name 'X-PLOR NIH' _Software.Version 2.9.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID SCHWIETERS,C.D.,KUSZEWSKI,J.J.,TJANDRA,N.,CLORE,G.M. . . 16519 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16519 7 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16519 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16519 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 16519 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 16519 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 3D_15N-separated_NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16519 1 2 3D_13C-separated_NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16519 1 3 '3D_13C-separated_NOESY (AROMATIC)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16519 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16519 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16519 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16519 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16519 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16519 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 3D_15N-separated_NOESY . . . 16519 1 2 3D_13C-separated_NOESY . . . 16519 1 3 '3D_13C-separated_NOESY (AROMATIC)' . . . 16519 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 LYS H H 1 8.437 0.03 . 1 . . . . 1 LYS H . 16519 1 2 . 1 1 1 1 LYS HA H 1 4.643 0.03 . 1 . . . . 1 LYS HA . 16519 1 3 . 1 1 1 1 LYS HB2 H 1 1.838 0.03 . 2 . . . . 1 LYS HB2 . 16519 1 4 . 1 1 1 1 LYS HB3 H 1 1.759 0.03 . 2 . . . . 1 LYS HB3 . 16519 1 5 . 1 1 1 1 LYS HD2 H 1 1.719 0.03 . 2 . . . . 1 LYS HD2 . 16519 1 6 . 1 1 1 1 LYS HD3 H 1 1.719 0.03 . 2 . . . . 1 LYS HD3 . 16519 1 7 . 1 1 1 1 LYS HE2 H 1 3.032 0.03 . 2 . . . . 1 LYS HE2 . 16519 1 8 . 1 1 1 1 LYS HE3 H 1 3.032 0.03 . 2 . . . . 1 LYS HE3 . 16519 1 9 . 1 1 1 1 LYS HG2 H 1 1.508 0.03 . 2 . . . . 1 LYS HG2 . 16519 1 10 . 1 1 1 1 LYS HG3 H 1 1.508 0.03 . 2 . . . . 1 LYS HG3 . 16519 1 11 . 1 1 1 1 LYS C C 13 174.545 0.3 . 1 . . . . 1 LYS C . 16519 1 12 . 1 1 1 1 LYS CA C 13 54.486 0.3 . 1 . . . . 1 LYS CA . 16519 1 13 . 1 1 1 1 LYS CB C 13 32.598 0.3 . 1 . . . . 1 LYS CB . 16519 1 14 . 1 1 1 1 LYS CD C 13 28.872 0.3 . 1 . . . . 1 LYS CD . 16519 1 15 . 1 1 1 1 LYS CE C 13 42.003 0.3 . 1 . . . . 1 LYS CE . 16519 1 16 . 1 1 1 1 LYS CG C 13 24.854 0.3 . 1 . . . . 1 LYS CG . 16519 1 17 . 1 1 1 1 LYS N N 15 124.720 0.3 . 1 . . . . 1 LYS N . 16519 1 18 . 1 1 2 2 PRO HA H 1 4.481 0.03 . 1 . . . . 2 PRO HA . 16519 1 19 . 1 1 2 2 PRO HB2 H 1 2.298 0.03 . 2 . . . . 2 PRO HB2 . 16519 1 20 . 1 1 2 2 PRO HB3 H 1 1.909 0.03 . 2 . . . . 2 PRO HB3 . 16519 1 21 . 1 1 2 2 PRO HD2 H 1 3.880 0.03 . 2 . . . . 2 PRO HD2 . 16519 1 22 . 1 1 2 2 PRO HD3 H 1 3.658 0.03 . 2 . . . . 2 PRO HD3 . 16519 1 23 . 1 1 2 2 PRO HG2 H 1 2.042 0.03 . 2 . . . . 2 PRO HG2 . 16519 1 24 . 1 1 2 2 PRO HG3 H 1 2.042 0.03 . 2 . . . . 2 PRO HG3 . 16519 1 25 . 1 1 2 2 PRO C C 13 176.996 0.3 . 1 . . . . 2 PRO C . 16519 1 26 . 1 1 2 2 PRO CA C 13 63.494 0.3 . 1 . . . . 2 PRO CA . 16519 1 27 . 1 1 2 2 PRO CB C 13 32.161 0.3 . 1 . . . . 2 PRO CB . 16519 1 28 . 1 1 2 2 PRO CD C 13 50.905 0.3 . 1 . . . . 2 PRO CD . 16519 1 29 . 1 1 2 2 PRO CG C 13 27.587 0.3 . 1 . . . . 2 PRO CG . 16519 1 30 . 1 1 3 3 VAL H H 1 8.229 0.03 . 1 . . . . 3 VAL H . 16519 1 31 . 1 1 3 3 VAL HA H 1 4.120 0.03 . 1 . . . . 3 VAL HA . 16519 1 32 . 1 1 3 3 VAL HB H 1 2.081 0.03 . 1 . . . . 3 VAL HB . 16519 1 33 . 1 1 3 3 VAL HG11 H 1 0.967 0.03 . 2 . . . . 3 VAL QG1 . 16519 1 34 . 1 1 3 3 VAL HG12 H 1 0.967 0.03 . 2 . . . . 3 VAL QG1 . 16519 1 35 . 1 1 3 3 VAL HG13 H 1 0.967 0.03 . 2 . . . . 3 VAL QG1 . 16519 1 36 . 1 1 3 3 VAL HG21 H 1 0.967 0.03 . 2 . . . . 3 VAL QG2 . 16519 1 37 . 1 1 3 3 VAL HG22 H 1 0.967 0.03 . 2 . . . . 3 VAL QG2 . 16519 1 38 . 1 1 3 3 VAL HG23 H 1 0.967 0.03 . 2 . . . . 3 VAL QG2 . 16519 1 39 . 1 1 3 3 VAL C C 13 176.376 0.3 . 1 . . . . 3 VAL C . 16519 1 40 . 1 1 3 3 VAL CA C 13 62.495 0.3 . 1 . . . . 3 VAL CA . 16519 1 41 . 1 1 3 3 VAL CB C 13 33.131 0.3 . 1 . . . . 3 VAL CB . 16519 1 42 . 1 1 3 3 VAL CG1 C 13 21.150 0.3 . 1 . . . . 3 VAL CG1 . 16519 1 43 . 1 1 3 3 VAL N N 15 120.619 0.3 . 1 . . . . 3 VAL N . 16519 1 44 . 1 1 4 4 SER H H 1 8.285 0.03 . 1 . . . . 4 SER H . 16519 1 45 . 1 1 4 4 SER HA H 1 4.475 0.03 . 1 . . . . 4 SER HA . 16519 1 46 . 1 1 4 4 SER HB2 H 1 3.852 0.03 . 2 . . . . 4 SER HB2 . 16519 1 47 . 1 1 4 4 SER HB3 H 1 3.852 0.03 . 2 . . . . 4 SER HB3 . 16519 1 48 . 1 1 4 4 SER C C 13 174.577 0.3 . 1 . . . . 4 SER C . 16519 1 49 . 1 1 4 4 SER CA C 13 58.148 0.3 . 1 . . . . 4 SER CA . 16519 1 50 . 1 1 4 4 SER CB C 13 63.870 0.3 . 1 . . . . 4 SER CB . 16519 1 51 . 1 1 4 4 SER N N 15 119.138 0.3 . 1 . . . . 4 SER N . 16519 1 52 . 1 1 5 5 LEU H H 1 8.276 0.03 . 1 . . . . 5 LEU H . 16519 1 53 . 1 1 5 5 LEU HA H 1 4.381 0.03 . 1 . . . . 5 LEU HA . 16519 1 54 . 1 1 5 5 LEU HB2 H 1 1.622 0.03 . 2 . . . . 5 LEU HB2 . 16519 1 55 . 1 1 5 5 LEU HB3 H 1 1.539 0.03 . 2 . . . . 5 LEU HB3 . 16519 1 56 . 1 1 5 5 LEU HD11 H 1 0.928 0.03 . 2 . . . . 5 LEU QD1 . 16519 1 57 . 1 1 5 5 LEU HD12 H 1 0.928 0.03 . 2 . . . . 5 LEU QD1 . 16519 1 58 . 1 1 5 5 LEU HD13 H 1 0.928 0.03 . 2 . . . . 5 LEU QD1 . 16519 1 59 . 1 1 5 5 LEU HD21 H 1 0.928 0.03 . 2 . . . . 5 LEU QD2 . 16519 1 60 . 1 1 5 5 LEU HD22 H 1 0.928 0.03 . 2 . . . . 5 LEU QD2 . 16519 1 61 . 1 1 5 5 LEU HD23 H 1 0.928 0.03 . 2 . . . . 5 LEU QD2 . 16519 1 62 . 1 1 5 5 LEU HG H 1 1.623 0.03 . 1 . . . . 5 LEU HG . 16519 1 63 . 1 1 5 5 LEU C C 13 177.341 0.3 . 1 . . . . 5 LEU C . 16519 1 64 . 1 1 5 5 LEU CA C 13 55.388 0.3 . 1 . . . . 5 LEU CA . 16519 1 65 . 1 1 5 5 LEU CB C 13 42.650 0.3 . 1 . . . . 5 LEU CB . 16519 1 66 . 1 1 5 5 LEU CD1 C 13 25.329 0.3 . 1 . . . . 5 LEU CD1 . 16519 1 67 . 1 1 5 5 LEU CG C 13 27.529 0.3 . 1 . . . . 5 LEU CG . 16519 1 68 . 1 1 5 5 LEU N N 15 124.775 0.3 . 1 . . . . 5 LEU N . 16519 1 69 . 1 1 6 6 SER H H 1 8.139 0.03 . 1 . . . . 6 SER H . 16519 1 70 . 1 1 6 6 SER HA H 1 4.402 0.03 . 1 . . . . 6 SER HA . 16519 1 71 . 1 1 6 6 SER HB2 H 1 3.802 0.03 . 2 . . . . 6 SER HB2 . 16519 1 72 . 1 1 6 6 SER HB3 H 1 3.802 0.03 . 2 . . . . 6 SER HB3 . 16519 1 73 . 1 1 6 6 SER C C 13 174.189 0.3 . 1 . . . . 6 SER C . 16519 1 74 . 1 1 6 6 SER CA C 13 58.433 0.3 . 1 . . . . 6 SER CA . 16519 1 75 . 1 1 6 6 SER CB C 13 63.870 0.3 . 1 . . . . 6 SER CB . 16519 1 76 . 1 1 6 6 SER N N 15 115.939 0.3 . 1 . . . . 6 SER N . 16519 1 77 . 1 1 7 7 TYR H H 1 7.977 0.03 . 1 . . . . 7 TYR H . 16519 1 78 . 1 1 7 7 TYR HA H 1 4.565 0.03 . 1 . . . . 7 TYR HA . 16519 1 79 . 1 1 7 7 TYR HB2 H 1 3.071 0.03 . 2 . . . . 7 TYR HB2 . 16519 1 80 . 1 1 7 7 TYR HB3 H 1 2.933 0.03 . 2 . . . . 7 TYR HB3 . 16519 1 81 . 1 1 7 7 TYR HD1 H 1 7.116 0.03 . 1 . . . . 7 TYR HD1 . 16519 1 82 . 1 1 7 7 TYR HD2 H 1 7.116 0.03 . 1 . . . . 7 TYR HD2 . 16519 1 83 . 1 1 7 7 TYR HE1 H 1 6.827 0.03 . 1 . . . . 7 TYR HE1 . 16519 1 84 . 1 1 7 7 TYR HE2 H 1 6.827 0.03 . 1 . . . . 7 TYR HE2 . 16519 1 85 . 1 1 7 7 TYR C C 13 175.520 0.3 . 1 . . . . 7 TYR C . 16519 1 86 . 1 1 7 7 TYR CA C 13 58.008 0.3 . 1 . . . . 7 TYR CA . 16519 1 87 . 1 1 7 7 TYR CB C 13 38.956 0.3 . 1 . . . . 7 TYR CB . 16519 1 88 . 1 1 7 7 TYR CD1 C 13 133.298 0.3 . 1 . . . . 7 TYR CD1 . 16519 1 89 . 1 1 7 7 TYR CE1 C 13 118.337 0.3 . 1 . . . . 7 TYR CE1 . 16519 1 90 . 1 1 7 7 TYR N N 15 121.982 0.3 . 1 . . . . 7 TYR N . 16519 1 91 . 1 1 8 8 ARG H H 1 8.140 0.03 . 1 . . . . 8 ARG H . 16519 1 92 . 1 1 8 8 ARG HA H 1 4.312 0.03 . 1 . . . . 8 ARG HA . 16519 1 93 . 1 1 8 8 ARG HB2 H 1 1.804 0.03 . 2 . . . . 8 ARG HB2 . 16519 1 94 . 1 1 8 8 ARG HB3 H 1 1.712 0.03 . 2 . . . . 8 ARG HB3 . 16519 1 95 . 1 1 8 8 ARG HD2 H 1 3.170 0.03 . 2 . . . . 8 ARG HD2 . 16519 1 96 . 1 1 8 8 ARG HD3 H 1 3.170 0.03 . 2 . . . . 8 ARG HD3 . 16519 1 97 . 1 1 8 8 ARG HG2 H 1 1.546 0.03 . 2 . . . . 8 ARG HG2 . 16519 1 98 . 1 1 8 8 ARG HG3 H 1 1.546 0.03 . 2 . . . . 8 ARG HG3 . 16519 1 99 . 1 1 8 8 ARG C C 13 175.918 0.3 . 1 . . . . 8 ARG C . 16519 1 100 . 1 1 8 8 ARG CA C 13 56.428 0.3 . 1 . . . . 8 ARG CA . 16519 1 101 . 1 1 8 8 ARG CB C 13 30.875 0.3 . 1 . . . . 8 ARG CB . 16519 1 102 . 1 1 8 8 ARG CD C 13 43.485 0.3 . 1 . . . . 8 ARG CD . 16519 1 103 . 1 1 8 8 ARG CG C 13 27.118 0.3 . 1 . . . . 8 ARG CG . 16519 1 104 . 1 1 8 8 ARG N N 15 122.200 0.3 . 1 . . . . 8 ARG N . 16519 1 105 . 1 1 9 9 CYS H H 1 8.095 0.03 . 1 . . . . 9 CYS H . 16519 1 106 . 1 1 9 9 CYS HA H 1 4.972 0.03 . 1 . . . . 9 CYS HA . 16519 1 107 . 1 1 9 9 CYS HB2 H 1 2.728 0.03 . 2 . . . . 9 CYS HB2 . 16519 1 108 . 1 1 9 9 CYS HB3 H 1 3.254 0.03 . 2 . . . . 9 CYS HB3 . 16519 1 109 . 1 1 9 9 CYS C C 13 173.615 0.3 . 1 . . . . 9 CYS C . 16519 1 110 . 1 1 9 9 CYS CA C 13 53.127 0.3 . 1 . . . . 9 CYS CA . 16519 1 111 . 1 1 9 9 CYS CB C 13 40.218 0.3 . 1 . . . . 9 CYS CB . 16519 1 112 . 1 1 9 9 CYS N N 15 120.940 0.3 . 1 . . . . 9 CYS N . 16519 1 113 . 1 1 10 10 PRO HA H 1 4.342 0.03 . 1 . . . . 10 PRO HA . 16519 1 114 . 1 1 10 10 PRO HB2 H 1 2.305 0.03 . 2 . . . . 10 PRO HB2 . 16519 1 115 . 1 1 10 10 PRO HB3 H 1 1.879 0.03 . 2 . . . . 10 PRO HB3 . 16519 1 116 . 1 1 10 10 PRO HD2 H 1 3.874 0.03 . 2 . . . . 10 PRO HD2 . 16519 1 117 . 1 1 10 10 PRO HD3 H 1 3.874 0.03 . 2 . . . . 10 PRO HD3 . 16519 1 118 . 1 1 10 10 PRO HG2 H 1 2.050 0.03 . 2 . . . . 10 PRO HG2 . 16519 1 119 . 1 1 10 10 PRO HG3 H 1 2.050 0.03 . 2 . . . . 10 PRO HG3 . 16519 1 120 . 1 1 10 10 PRO C C 13 177.703 0.3 . 1 . . . . 10 PRO C . 16519 1 121 . 1 1 10 10 PRO CA C 13 64.859 0.3 . 1 . . . . 10 PRO CA . 16519 1 122 . 1 1 10 10 PRO CB C 13 32.508 0.3 . 1 . . . . 10 PRO CB . 16519 1 123 . 1 1 10 10 PRO CD C 13 51.278 0.3 . 1 . . . . 10 PRO CD . 16519 1 124 . 1 1 10 10 PRO CG C 13 27.682 0.3 . 1 . . . . 10 PRO CG . 16519 1 125 . 1 1 11 11 CYS H H 1 8.261 0.03 . 1 . . . . 11 CYS H . 16519 1 126 . 1 1 11 11 CYS HA H 1 4.853 0.03 . 1 . . . . 11 CYS HA . 16519 1 127 . 1 1 11 11 CYS HB2 H 1 2.923 0.03 . 2 . . . . 11 CYS HB2 . 16519 1 128 . 1 1 11 11 CYS HB3 H 1 2.817 0.03 . 2 . . . . 11 CYS HB3 . 16519 1 129 . 1 1 11 11 CYS C C 13 174.202 0.3 . 1 . . . . 11 CYS C . 16519 1 130 . 1 1 11 11 CYS CA C 13 53.839 0.3 . 1 . . . . 11 CYS CA . 16519 1 131 . 1 1 11 11 CYS CB C 13 39.603 0.3 . 1 . . . . 11 CYS CB . 16519 1 132 . 1 1 11 11 CYS N N 15 114.145 0.3 . 1 . . . . 11 CYS N . 16519 1 133 . 1 1 12 12 ARG H H 1 8.243 0.03 . 1 . . . . 12 ARG H . 16519 1 134 . 1 1 12 12 ARG HA H 1 4.030 0.03 . 1 . . . . 12 ARG HA . 16519 1 135 . 1 1 12 12 ARG HB2 H 1 1.572 0.03 . 2 . . . . 12 ARG HB2 . 16519 1 136 . 1 1 12 12 ARG HB3 H 1 1.542 0.03 . 2 . . . . 12 ARG HB3 . 16519 1 137 . 1 1 12 12 ARG HD2 H 1 3.006 0.03 . 2 . . . . 12 ARG HD2 . 16519 1 138 . 1 1 12 12 ARG HD3 H 1 3.006 0.03 . 2 . . . . 12 ARG HD3 . 16519 1 139 . 1 1 12 12 ARG HG2 H 1 1.314 0.03 . 2 . . . . 12 ARG HG2 . 16519 1 140 . 1 1 12 12 ARG HG3 H 1 1.223 0.03 . 2 . . . . 12 ARG HG3 . 16519 1 141 . 1 1 12 12 ARG C C 13 175.202 0.3 . 1 . . . . 12 ARG C . 16519 1 142 . 1 1 12 12 ARG CA C 13 57.293 0.3 . 1 . . . . 12 ARG CA . 16519 1 143 . 1 1 12 12 ARG CB C 13 31.098 0.3 . 1 . . . . 12 ARG CB . 16519 1 144 . 1 1 12 12 ARG CD C 13 43.350 0.3 . 1 . . . . 12 ARG CD . 16519 1 145 . 1 1 12 12 ARG CG C 13 26.897 0.3 . 1 . . . . 12 ARG CG . 16519 1 146 . 1 1 12 12 ARG N N 15 122.266 0.3 . 1 . . . . 12 ARG N . 16519 1 147 . 1 1 13 13 PHE H H 1 7.526 0.03 . 1 . . . . 13 PHE H . 16519 1 148 . 1 1 13 13 PHE HA H 1 4.547 0.03 . 1 . . . . 13 PHE HA . 16519 1 149 . 1 1 13 13 PHE HB2 H 1 3.117 0.03 . 2 . . . . 13 PHE HB2 . 16519 1 150 . 1 1 13 13 PHE HB3 H 1 2.839 0.03 . 2 . . . . 13 PHE HB3 . 16519 1 151 . 1 1 13 13 PHE HD1 H 1 7.201 0.03 . 1 . . . . 13 PHE HD1 . 16519 1 152 . 1 1 13 13 PHE HD2 H 1 7.201 0.03 . 1 . . . . 13 PHE HD2 . 16519 1 153 . 1 1 13 13 PHE HE1 H 1 7.322 0.03 . 1 . . . . 13 PHE HE1 . 16519 1 154 . 1 1 13 13 PHE HE2 H 1 7.322 0.03 . 1 . . . . 13 PHE HE2 . 16519 1 155 . 1 1 13 13 PHE HZ H 1 7.308 0.03 . 1 . . . . 13 PHE HZ . 16519 1 156 . 1 1 13 13 PHE C C 13 174.226 0.3 . 1 . . . . 13 PHE C . 16519 1 157 . 1 1 13 13 PHE CA C 13 55.971 0.3 . 1 . . . . 13 PHE CA . 16519 1 158 . 1 1 13 13 PHE CB C 13 41.059 0.3 . 1 . . . . 13 PHE CB . 16519 1 159 . 1 1 13 13 PHE CD1 C 13 132.275 0.3 . 1 . . . . 13 PHE CD1 . 16519 1 160 . 1 1 13 13 PHE CE1 C 13 132.754 0.3 . 1 . . . . 13 PHE CE1 . 16519 1 161 . 1 1 13 13 PHE CZ C 13 129.771 0.3 . 1 . . . . 13 PHE CZ . 16519 1 162 . 1 1 13 13 PHE N N 15 116.037 0.3 . 1 . . . . 13 PHE N . 16519 1 163 . 1 1 14 14 PHE H H 1 8.301 0.03 . 1 . . . . 14 PHE H . 16519 1 164 . 1 1 14 14 PHE HA H 1 4.839 0.03 . 1 . . . . 14 PHE HA . 16519 1 165 . 1 1 14 14 PHE HB2 H 1 2.785 0.03 . 2 . . . . 14 PHE HB2 . 16519 1 166 . 1 1 14 14 PHE HB3 H 1 2.832 0.03 . 2 . . . . 14 PHE HB3 . 16519 1 167 . 1 1 14 14 PHE HD1 H 1 7.016 0.03 . 1 . . . . 14 PHE HD1 . 16519 1 168 . 1 1 14 14 PHE HD2 H 1 7.016 0.03 . 1 . . . . 14 PHE HD2 . 16519 1 169 . 1 1 14 14 PHE HE1 H 1 7.316 0.03 . 1 . . . . 14 PHE HE1 . 16519 1 170 . 1 1 14 14 PHE HE2 H 1 7.316 0.03 . 1 . . . . 14 PHE HE2 . 16519 1 171 . 1 1 14 14 PHE HZ H 1 7.253 0.03 . 1 . . . . 14 PHE HZ . 16519 1 172 . 1 1 14 14 PHE C C 13 175.247 0.3 . 1 . . . . 14 PHE C . 16519 1 173 . 1 1 14 14 PHE CA C 13 55.800 0.3 . 1 . . . . 14 PHE CA . 16519 1 174 . 1 1 14 14 PHE CB C 13 41.220 0.3 . 1 . . . . 14 PHE CB . 16519 1 175 . 1 1 14 14 PHE CD1 C 13 132.047 0.3 . 1 . . . . 14 PHE CD1 . 16519 1 176 . 1 1 14 14 PHE CE1 C 13 131.530 0.3 . 1 . . . . 14 PHE CE1 . 16519 1 177 . 1 1 14 14 PHE CZ C 13 130.151 0.3 . 1 . . . . 14 PHE CZ . 16519 1 178 . 1 1 14 14 PHE N N 15 119.899 0.3 . 1 . . . . 14 PHE N . 16519 1 179 . 1 1 15 15 GLU H H 1 8.898 0.03 . 1 . . . . 15 GLU H . 16519 1 180 . 1 1 15 15 GLU HA H 1 4.579 0.03 . 1 . . . . 15 GLU HA . 16519 1 181 . 1 1 15 15 GLU HB2 H 1 2.120 0.03 . 2 . . . . 15 GLU HB2 . 16519 1 182 . 1 1 15 15 GLU HB3 H 1 2.003 0.03 . 2 . . . . 15 GLU HB3 . 16519 1 183 . 1 1 15 15 GLU HG2 H 1 2.408 0.03 . 2 . . . . 15 GLU HG2 . 16519 1 184 . 1 1 15 15 GLU HG3 H 1 2.286 0.03 . 2 . . . . 15 GLU HG3 . 16519 1 185 . 1 1 15 15 GLU C C 13 176.747 0.3 . 1 . . . . 15 GLU C . 16519 1 186 . 1 1 15 15 GLU CA C 13 56.012 0.3 . 1 . . . . 15 GLU CA . 16519 1 187 . 1 1 15 15 GLU CB C 13 31.042 0.3 . 1 . . . . 15 GLU CB . 16519 1 188 . 1 1 15 15 GLU CG C 13 36.376 0.3 . 1 . . . . 15 GLU CG . 16519 1 189 . 1 1 15 15 GLU N N 15 122.980 0.3 . 1 . . . . 15 GLU N . 16519 1 190 . 1 1 16 16 SER H H 1 8.758 0.03 . 1 . . . . 16 SER H . 16519 1 191 . 1 1 16 16 SER HA H 1 4.761 0.03 . 1 . . . . 16 SER HA . 16519 1 192 . 1 1 16 16 SER HB2 H 1 3.914 0.03 . 2 . . . . 16 SER HB2 . 16519 1 193 . 1 1 16 16 SER HB3 H 1 3.732 0.03 . 2 . . . . 16 SER HB3 . 16519 1 194 . 1 1 16 16 SER C C 13 174.278 0.3 . 1 . . . . 16 SER C . 16519 1 195 . 1 1 16 16 SER CA C 13 59.799 0.3 . 1 . . . . 16 SER CA . 16519 1 196 . 1 1 16 16 SER CB C 13 64.516 0.3 . 1 . . . . 16 SER CB . 16519 1 197 . 1 1 16 16 SER N N 15 119.326 0.3 . 1 . . . . 16 SER N . 16519 1 198 . 1 1 17 17 HIS H H 1 9.042 0.03 . 1 . . . . 17 HIS H . 16519 1 199 . 1 1 17 17 HIS HA H 1 4.914 0.03 . 1 . . . . 17 HIS HA . 16519 1 200 . 1 1 17 17 HIS HB2 H 1 3.410 0.03 . 2 . . . . 17 HIS HB2 . 16519 1 201 . 1 1 17 17 HIS HB3 H 1 3.263 0.03 . 2 . . . . 17 HIS HB3 . 16519 1 202 . 1 1 17 17 HIS HD2 H 1 7.363 0.03 . 1 . . . . 17 HIS HD2 . 16519 1 203 . 1 1 17 17 HIS HE1 H 1 8.546 0.03 . 1 . . . . 17 HIS HE1 . 16519 1 204 . 1 1 17 17 HIS C C 13 174.580 0.3 . 1 . . . . 17 HIS C . 16519 1 205 . 1 1 17 17 HIS CA C 13 56.240 0.3 . 1 . . . . 17 HIS CA . 16519 1 206 . 1 1 17 17 HIS CB C 13 28.272 0.3 . 1 . . . . 17 HIS CB . 16519 1 207 . 1 1 17 17 HIS CD2 C 13 119.956 0.3 . 1 . . . . 17 HIS CD2 . 16519 1 208 . 1 1 17 17 HIS CE1 C 13 136.711 0.3 . 1 . . . . 17 HIS CE1 . 16519 1 209 . 1 1 17 17 HIS N N 15 120.435 0.3 . 1 . . . . 17 HIS N . 16519 1 210 . 1 1 18 18 VAL H H 1 7.180 0.03 . 1 . . . . 18 VAL H . 16519 1 211 . 1 1 18 18 VAL HA H 1 4.248 0.03 . 1 . . . . 18 VAL HA . 16519 1 212 . 1 1 18 18 VAL HB H 1 1.989 0.03 . 1 . . . . 18 VAL HB . 16519 1 213 . 1 1 18 18 VAL HG11 H 1 0.945 0.03 . 2 . . . . 18 VAL QG1 . 16519 1 214 . 1 1 18 18 VAL HG12 H 1 0.945 0.03 . 2 . . . . 18 VAL QG1 . 16519 1 215 . 1 1 18 18 VAL HG13 H 1 0.945 0.03 . 2 . . . . 18 VAL QG1 . 16519 1 216 . 1 1 18 18 VAL HG21 H 1 0.945 0.03 . 2 . . . . 18 VAL QG2 . 16519 1 217 . 1 1 18 18 VAL HG22 H 1 0.945 0.03 . 2 . . . . 18 VAL QG2 . 16519 1 218 . 1 1 18 18 VAL HG23 H 1 0.945 0.03 . 2 . . . . 18 VAL QG2 . 16519 1 219 . 1 1 18 18 VAL C C 13 174.138 0.3 . 1 . . . . 18 VAL C . 16519 1 220 . 1 1 18 18 VAL CA C 13 61.605 0.3 . 1 . . . . 18 VAL CA . 16519 1 221 . 1 1 18 18 VAL CB C 13 34.102 0.3 . 1 . . . . 18 VAL CB . 16519 1 222 . 1 1 18 18 VAL CG1 C 13 21.812 0.3 . 1 . . . . 18 VAL CG1 . 16519 1 223 . 1 1 18 18 VAL N N 15 119.564 0.3 . 1 . . . . 18 VAL N . 16519 1 224 . 1 1 19 19 ALA H H 1 8.567 0.03 . 1 . . . . 19 ALA H . 16519 1 225 . 1 1 19 19 ALA HA H 1 4.403 0.03 . 1 . . . . 19 ALA HA . 16519 1 226 . 1 1 19 19 ALA HB1 H 1 1.342 0.03 . 1 . . . . 19 ALA QB . 16519 1 227 . 1 1 19 19 ALA HB2 H 1 1.342 0.03 . 1 . . . . 19 ALA QB . 16519 1 228 . 1 1 19 19 ALA HB3 H 1 1.342 0.03 . 1 . . . . 19 ALA QB . 16519 1 229 . 1 1 19 19 ALA C C 13 177.514 0.3 . 1 . . . . 19 ALA C . 16519 1 230 . 1 1 19 19 ALA CA C 13 50.666 0.3 . 1 . . . . 19 ALA CA . 16519 1 231 . 1 1 19 19 ALA CB C 13 19.660 0.3 . 1 . . . . 19 ALA CB . 16519 1 232 . 1 1 19 19 ALA N N 15 131.408 0.3 . 1 . . . . 19 ALA N . 16519 1 233 . 1 1 20 20 ARG H H 1 7.785 0.03 . 1 . . . . 20 ARG H . 16519 1 234 . 1 1 20 20 ARG HA H 1 2.645 0.03 . 1 . . . . 20 ARG HA . 16519 1 235 . 1 1 20 20 ARG HB2 H 1 0.364 0.03 . 2 . . . . 20 ARG HB2 . 16519 1 236 . 1 1 20 20 ARG HB3 H 1 1.060 0.03 . 2 . . . . 20 ARG HB3 . 16519 1 237 . 1 1 20 20 ARG HD2 H 1 2.732 0.03 . 2 . . . . 20 ARG HD2 . 16519 1 238 . 1 1 20 20 ARG HD3 H 1 2.732 0.03 . 2 . . . . 20 ARG HD3 . 16519 1 239 . 1 1 20 20 ARG HG2 H 1 1.114 0.03 . 2 . . . . 20 ARG HG2 . 16519 1 240 . 1 1 20 20 ARG HG3 H 1 0.875 0.03 . 2 . . . . 20 ARG HG3 . 16519 1 241 . 1 1 20 20 ARG C C 13 178.531 0.3 . 1 . . . . 20 ARG C . 16519 1 242 . 1 1 20 20 ARG CA C 13 59.389 0.3 . 1 . . . . 20 ARG CA . 16519 1 243 . 1 1 20 20 ARG CB C 13 29.167 0.3 . 1 . . . . 20 ARG CB . 16519 1 244 . 1 1 20 20 ARG CD C 13 43.800 0.3 . 1 . . . . 20 ARG CD . 16519 1 245 . 1 1 20 20 ARG CG C 13 26.600 0.3 . 1 . . . . 20 ARG CG . 16519 1 246 . 1 1 20 20 ARG N N 15 124.309 0.3 . 1 . . . . 20 ARG N . 16519 1 247 . 1 1 21 21 ALA H H 1 8.187 0.03 . 1 . . . . 21 ALA H . 16519 1 248 . 1 1 21 21 ALA HA H 1 4.055 0.03 . 1 . . . . 21 ALA HA . 16519 1 249 . 1 1 21 21 ALA HB1 H 1 1.298 0.03 . 1 . . . . 21 ALA QB . 16519 1 250 . 1 1 21 21 ALA HB2 H 1 1.298 0.03 . 1 . . . . 21 ALA QB . 16519 1 251 . 1 1 21 21 ALA HB3 H 1 1.298 0.03 . 1 . . . . 21 ALA QB . 16519 1 252 . 1 1 21 21 ALA C C 13 177.743 0.3 . 1 . . . . 21 ALA C . 16519 1 253 . 1 1 21 21 ALA CA C 13 53.809 0.3 . 1 . . . . 21 ALA CA . 16519 1 254 . 1 1 21 21 ALA CB C 13 18.884 0.3 . 1 . . . . 21 ALA CB . 16519 1 255 . 1 1 21 21 ALA N N 15 117.587 0.3 . 1 . . . . 21 ALA N . 16519 1 256 . 1 1 22 22 ASN H H 1 7.732 0.03 . 1 . . . . 22 ASN H . 16519 1 257 . 1 1 22 22 ASN HA H 1 4.972 0.03 . 1 . . . . 22 ASN HA . 16519 1 258 . 1 1 22 22 ASN HB2 H 1 3.122 0.03 . 2 . . . . 22 ASN HB2 . 16519 1 259 . 1 1 22 22 ASN HB3 H 1 2.716 0.03 . 2 . . . . 22 ASN HB3 . 16519 1 260 . 1 1 22 22 ASN HD21 H 1 7.709 0.03 . 2 . . . . 22 ASN HD21 . 16519 1 261 . 1 1 22 22 ASN HD22 H 1 7.082 0.03 . 2 . . . . 22 ASN HD22 . 16519 1 262 . 1 1 22 22 ASN C C 13 174.889 0.3 . 1 . . . . 22 ASN C . 16519 1 263 . 1 1 22 22 ASN CA C 13 52.590 0.3 . 1 . . . . 22 ASN CA . 16519 1 264 . 1 1 22 22 ASN CB C 13 40.335 0.3 . 1 . . . . 22 ASN CB . 16519 1 265 . 1 1 22 22 ASN N N 15 112.657 0.3 . 1 . . . . 22 ASN N . 16519 1 266 . 1 1 22 22 ASN ND2 N 15 112.095 0.3 . 1 . . . . 22 ASN ND2 . 16519 1 267 . 1 1 23 23 VAL H H 1 7.504 0.03 . 1 . . . . 23 VAL H . 16519 1 268 . 1 1 23 23 VAL HA H 1 4.225 0.03 . 1 . . . . 23 VAL HA . 16519 1 269 . 1 1 23 23 VAL HB H 1 2.125 0.03 . 1 . . . . 23 VAL HB . 16519 1 270 . 1 1 23 23 VAL HG11 H 1 0.925 0.03 . 2 . . . . 23 VAL QG1 . 16519 1 271 . 1 1 23 23 VAL HG12 H 1 0.925 0.03 . 2 . . . . 23 VAL QG1 . 16519 1 272 . 1 1 23 23 VAL HG13 H 1 0.925 0.03 . 2 . . . . 23 VAL QG1 . 16519 1 273 . 1 1 23 23 VAL HG21 H 1 0.925 0.03 . 2 . . . . 23 VAL QG2 . 16519 1 274 . 1 1 23 23 VAL HG22 H 1 0.925 0.03 . 2 . . . . 23 VAL QG2 . 16519 1 275 . 1 1 23 23 VAL HG23 H 1 0.925 0.03 . 2 . . . . 23 VAL QG2 . 16519 1 276 . 1 1 23 23 VAL C C 13 174.594 0.3 . 1 . . . . 23 VAL C . 16519 1 277 . 1 1 23 23 VAL CA C 13 63.226 0.3 . 1 . . . . 23 VAL CA . 16519 1 278 . 1 1 23 23 VAL CB C 13 33.445 0.3 . 1 . . . . 23 VAL CB . 16519 1 279 . 1 1 23 23 VAL CG1 C 13 21.924 0.3 . 1 . . . . 23 VAL CG1 . 16519 1 280 . 1 1 23 23 VAL N N 15 119.899 0.3 . 1 . . . . 23 VAL N . 16519 1 281 . 1 1 24 24 LYS H H 1 9.311 0.03 . 1 . . . . 24 LYS H . 16519 1 282 . 1 1 24 24 LYS HA H 1 4.386 0.03 . 1 . . . . 24 LYS HA . 16519 1 283 . 1 1 24 24 LYS HB2 H 1 1.679 0.03 . 2 . . . . 24 LYS HB2 . 16519 1 284 . 1 1 24 24 LYS HB3 H 1 1.564 0.03 . 2 . . . . 24 LYS HB3 . 16519 1 285 . 1 1 24 24 LYS HD2 H 1 1.719 0.03 . 2 . . . . 24 LYS HD2 . 16519 1 286 . 1 1 24 24 LYS HD3 H 1 1.644 0.03 . 2 . . . . 24 LYS HD3 . 16519 1 287 . 1 1 24 24 LYS HE2 H 1 2.994 0.03 . 2 . . . . 24 LYS HE2 . 16519 1 288 . 1 1 24 24 LYS HE3 H 1 2.952 0.03 . 2 . . . . 24 LYS HE3 . 16519 1 289 . 1 1 24 24 LYS HG2 H 1 1.343 0.03 . 2 . . . . 24 LYS HG2 . 16519 1 290 . 1 1 24 24 LYS HG3 H 1 1.343 0.03 . 2 . . . . 24 LYS HG3 . 16519 1 291 . 1 1 24 24 LYS C C 13 175.247 0.3 . 1 . . . . 24 LYS C . 16519 1 292 . 1 1 24 24 LYS CA C 13 57.300 0.3 . 1 . . . . 24 LYS CA . 16519 1 293 . 1 1 24 24 LYS CB C 13 34.749 0.3 . 1 . . . . 24 LYS CB . 16519 1 294 . 1 1 24 24 LYS CD C 13 29.834 0.3 . 1 . . . . 24 LYS CD . 16519 1 295 . 1 1 24 24 LYS CE C 13 42.493 0.3 . 1 . . . . 24 LYS CE . 16519 1 296 . 1 1 24 24 LYS CG C 13 25.042 0.3 . 1 . . . . 24 LYS CG . 16519 1 297 . 1 1 24 24 LYS N N 15 126.485 0.3 . 1 . . . . 24 LYS N . 16519 1 298 . 1 1 25 25 ARG H H 1 7.574 0.03 . 1 . . . . 25 ARG H . 16519 1 299 . 1 1 25 25 ARG HA H 1 4.550 0.03 . 1 . . . . 25 ARG HA . 16519 1 300 . 1 1 25 25 ARG HB2 H 1 1.887 0.03 . 2 . . . . 25 ARG HB2 . 16519 1 301 . 1 1 25 25 ARG HB3 H 1 1.826 0.03 . 2 . . . . 25 ARG HB3 . 16519 1 302 . 1 1 25 25 ARG HD2 H 1 3.251 0.03 . 2 . . . . 25 ARG HD2 . 16519 1 303 . 1 1 25 25 ARG HD3 H 1 3.251 0.03 . 2 . . . . 25 ARG HD3 . 16519 1 304 . 1 1 25 25 ARG HG2 H 1 1.597 0.03 . 2 . . . . 25 ARG HG2 . 16519 1 305 . 1 1 25 25 ARG CA C 13 55.781 0.3 . 1 . . . . 25 ARG CA . 16519 1 306 . 1 1 25 25 ARG CB C 13 33.455 0.3 . 1 . . . . 25 ARG CB . 16519 1 307 . 1 1 25 25 ARG CD C 13 43.485 0.3 . 1 . . . . 25 ARG CD . 16519 1 308 . 1 1 25 25 ARG CG C 13 26.984 0.3 . 1 . . . . 25 ARG CG . 16519 1 309 . 1 1 25 25 ARG N N 15 115.858 0.3 . 1 . . . . 25 ARG N . 16519 1 310 . 1 1 26 26 LEU H H 1 8.575 0.03 . 1 . . . . 26 LEU H . 16519 1 311 . 1 1 26 26 LEU HA H 1 5.226 0.03 . 1 . . . . 26 LEU HA . 16519 1 312 . 1 1 26 26 LEU HB2 H 1 1.529 0.03 . 2 . . . . 26 LEU HB2 . 16519 1 313 . 1 1 26 26 LEU HB3 H 1 1.338 0.03 . 2 . . . . 26 LEU HB3 . 16519 1 314 . 1 1 26 26 LEU HD11 H 1 0.694 0.03 . 2 . . . . 26 LEU QD1 . 16519 1 315 . 1 1 26 26 LEU HD12 H 1 0.694 0.03 . 2 . . . . 26 LEU QD1 . 16519 1 316 . 1 1 26 26 LEU HD13 H 1 0.694 0.03 . 2 . . . . 26 LEU QD1 . 16519 1 317 . 1 1 26 26 LEU HD21 H 1 0.591 0.03 . 2 . . . . 26 LEU QD2 . 16519 1 318 . 1 1 26 26 LEU HD22 H 1 0.591 0.03 . 2 . . . . 26 LEU QD2 . 16519 1 319 . 1 1 26 26 LEU HD23 H 1 0.591 0.03 . 2 . . . . 26 LEU QD2 . 16519 1 320 . 1 1 26 26 LEU HG H 1 1.475 0.03 . 1 . . . . 26 LEU HG . 16519 1 321 . 1 1 26 26 LEU C C 13 175.514 0.3 . 1 . . . . 26 LEU C . 16519 1 322 . 1 1 26 26 LEU CA C 13 54.486 0.3 . 1 . . . . 26 LEU CA . 16519 1 323 . 1 1 26 26 LEU CB C 13 46.074 0.3 . 1 . . . . 26 LEU CB . 16519 1 324 . 1 1 26 26 LEU CD1 C 13 25.455 0.3 . 1 . . . . 26 LEU CD1 . 16519 1 325 . 1 1 26 26 LEU CD2 C 13 26.013 0.3 . 1 . . . . 26 LEU CD2 . 16519 1 326 . 1 1 26 26 LEU CG C 13 26.984 0.3 . 1 . . . . 26 LEU CG . 16519 1 327 . 1 1 26 26 LEU N N 15 122.612 0.3 . 1 . . . . 26 LEU N . 16519 1 328 . 1 1 27 27 LYS H H 1 9.153 0.03 . 1 . . . . 27 LYS H . 16519 1 329 . 1 1 27 27 LYS HA H 1 4.590 0.03 . 1 . . . . 27 LYS HA . 16519 1 330 . 1 1 27 27 LYS HB2 H 1 1.650 0.03 . 2 . . . . 27 LYS HB2 . 16519 1 331 . 1 1 27 27 LYS HB3 H 1 1.718 0.03 . 2 . . . . 27 LYS HB3 . 16519 1 332 . 1 1 27 27 LYS HD2 H 1 1.607 0.03 . 2 . . . . 27 LYS HD2 . 16519 1 333 . 1 1 27 27 LYS HD3 H 1 1.607 0.03 . 2 . . . . 27 LYS HD3 . 16519 1 334 . 1 1 27 27 LYS HE2 H 1 2.891 0.03 . 2 . . . . 27 LYS HE2 . 16519 1 335 . 1 1 27 27 LYS HE3 H 1 2.891 0.03 . 2 . . . . 27 LYS HE3 . 16519 1 336 . 1 1 27 27 LYS HG2 H 1 1.314 0.03 . 2 . . . . 27 LYS HG2 . 16519 1 337 . 1 1 27 27 LYS HG3 H 1 1.253 0.03 . 2 . . . . 27 LYS HG3 . 16519 1 338 . 1 1 27 27 LYS C C 13 173.758 0.3 . 1 . . . . 27 LYS C . 16519 1 339 . 1 1 27 27 LYS CA C 13 55.800 0.3 . 1 . . . . 27 LYS CA . 16519 1 340 . 1 1 27 27 LYS CB C 13 36.800 0.3 . 1 . . . . 27 LYS CB . 16519 1 341 . 1 1 27 27 LYS CD C 13 29.572 0.3 . 1 . . . . 27 LYS CD . 16519 1 342 . 1 1 27 27 LYS CE C 13 42.230 0.3 . 1 . . . . 27 LYS CE . 16519 1 343 . 1 1 27 27 LYS CG C 13 25.035 0.3 . 1 . . . . 27 LYS CG . 16519 1 344 . 1 1 27 27 LYS N N 15 122.622 0.3 . 1 . . . . 27 LYS N . 16519 1 345 . 1 1 28 28 ILE H H 1 8.546 0.03 . 1 . . . . 28 ILE H . 16519 1 346 . 1 1 28 28 ILE HA H 1 4.683 0.03 . 1 . . . . 28 ILE HA . 16519 1 347 . 1 1 28 28 ILE HB H 1 1.788 0.03 . 1 . . . . 28 ILE HB . 16519 1 348 . 1 1 28 28 ILE HD11 H 1 0.824 0.03 . 1 . . . . 28 ILE QD1 . 16519 1 349 . 1 1 28 28 ILE HD12 H 1 0.824 0.03 . 1 . . . . 28 ILE QD1 . 16519 1 350 . 1 1 28 28 ILE HD13 H 1 0.824 0.03 . 1 . . . . 28 ILE QD1 . 16519 1 351 . 1 1 28 28 ILE HG12 H 1 1.560 0.03 . 2 . . . . 28 ILE HG12 . 16519 1 352 . 1 1 28 28 ILE HG13 H 1 1.103 0.03 . 2 . . . . 28 ILE HG13 . 16519 1 353 . 1 1 28 28 ILE HG21 H 1 0.834 0.03 . 1 . . . . 28 ILE QG2 . 16519 1 354 . 1 1 28 28 ILE HG22 H 1 0.834 0.03 . 1 . . . . 28 ILE QG2 . 16519 1 355 . 1 1 28 28 ILE HG23 H 1 0.834 0.03 . 1 . . . . 28 ILE QG2 . 16519 1 356 . 1 1 28 28 ILE C C 13 175.988 0.3 . 1 . . . . 28 ILE C . 16519 1 357 . 1 1 28 28 ILE CA C 13 60.200 0.3 . 1 . . . . 28 ILE CA . 16519 1 358 . 1 1 28 28 ILE CB C 13 38.632 0.3 . 1 . . . . 28 ILE CB . 16519 1 359 . 1 1 28 28 ILE CD1 C 13 13.809 0.3 . 1 . . . . 28 ILE CD1 . 16519 1 360 . 1 1 28 28 ILE CG1 C 13 28.364 0.3 . 1 . . . . 28 ILE CG1 . 16519 1 361 . 1 1 28 28 ILE CG2 C 13 18.166 0.3 . 1 . . . . 28 ILE CG2 . 16519 1 362 . 1 1 28 28 ILE N N 15 123.610 0.3 . 1 . . . . 28 ILE N . 16519 1 363 . 1 1 29 29 LEU H H 1 8.953 0.03 . 1 . . . . 29 LEU H . 16519 1 364 . 1 1 29 29 LEU HA H 1 4.566 0.03 . 1 . . . . 29 LEU HA . 16519 1 365 . 1 1 29 29 LEU HB2 H 1 1.574 0.03 . 2 . . . . 29 LEU HB2 . 16519 1 366 . 1 1 29 29 LEU HB3 H 1 1.574 0.03 . 2 . . . . 29 LEU HB3 . 16519 1 367 . 1 1 29 29 LEU HD11 H 1 0.805 0.03 . 2 . . . . 29 LEU QD1 . 16519 1 368 . 1 1 29 29 LEU HD12 H 1 0.805 0.03 . 2 . . . . 29 LEU QD1 . 16519 1 369 . 1 1 29 29 LEU HD13 H 1 0.805 0.03 . 2 . . . . 29 LEU QD1 . 16519 1 370 . 1 1 29 29 LEU HD21 H 1 0.805 0.03 . 2 . . . . 29 LEU QD2 . 16519 1 371 . 1 1 29 29 LEU HD22 H 1 0.805 0.03 . 2 . . . . 29 LEU QD2 . 16519 1 372 . 1 1 29 29 LEU HD23 H 1 0.805 0.03 . 2 . . . . 29 LEU QD2 . 16519 1 373 . 1 1 29 29 LEU HG H 1 1.549 0.03 . 1 . . . . 29 LEU HG . 16519 1 374 . 1 1 29 29 LEU C C 13 176.005 0.3 . 1 . . . . 29 LEU C . 16519 1 375 . 1 1 29 29 LEU CA C 13 54.400 0.3 . 1 . . . . 29 LEU CA . 16519 1 376 . 1 1 29 29 LEU CB C 13 43.800 0.3 . 1 . . . . 29 LEU CB . 16519 1 377 . 1 1 29 29 LEU CD1 C 13 24.072 0.3 . 1 . . . . 29 LEU CD1 . 16519 1 378 . 1 1 29 29 LEU CG C 13 26.984 0.3 . 1 . . . . 29 LEU CG . 16519 1 379 . 1 1 29 29 LEU N N 15 128.891 0.3 . 1 . . . . 29 LEU N . 16519 1 380 . 1 1 30 30 ASN H H 1 8.709 0.03 . 1 . . . . 30 ASN H . 16519 1 381 . 1 1 30 30 ASN HA H 1 5.019 0.03 . 1 . . . . 30 ASN HA . 16519 1 382 . 1 1 30 30 ASN HB2 H 1 2.792 0.03 . 2 . . . . 30 ASN HB2 . 16519 1 383 . 1 1 30 30 ASN HB3 H 1 2.487 0.03 . 2 . . . . 30 ASN HB3 . 16519 1 384 . 1 1 30 30 ASN HD21 H 1 7.477 0.03 . 2 . . . . 30 ASN HD21 . 16519 1 385 . 1 1 30 30 ASN HD22 H 1 6.619 0.03 . 2 . . . . 30 ASN HD22 . 16519 1 386 . 1 1 30 30 ASN C C 13 174.462 0.3 . 1 . . . . 30 ASN C . 16519 1 387 . 1 1 30 30 ASN CA C 13 52.413 0.3 . 1 . . . . 30 ASN CA . 16519 1 388 . 1 1 30 30 ASN CB C 13 39.232 0.3 . 1 . . . . 30 ASN CB . 16519 1 389 . 1 1 30 30 ASN N N 15 123.796 0.3 . 1 . . . . 30 ASN N . 16519 1 390 . 1 1 30 30 ASN ND2 N 15 111.117 0.3 . 1 . . . . 30 ASN ND2 . 16519 1 391 . 1 1 31 31 THR H H 1 8.171 0.03 . 1 . . . . 31 THR H . 16519 1 392 . 1 1 31 31 THR HA H 1 4.680 0.03 . 1 . . . . 31 THR HA . 16519 1 393 . 1 1 31 31 THR HB H 1 4.021 0.03 . 1 . . . . 31 THR HB . 16519 1 394 . 1 1 31 31 THR HG21 H 1 1.274 0.03 . 1 . . . . 31 THR QG2 . 16519 1 395 . 1 1 31 31 THR HG22 H 1 1.274 0.03 . 1 . . . . 31 THR QG2 . 16519 1 396 . 1 1 31 31 THR HG23 H 1 1.274 0.03 . 1 . . . . 31 THR QG2 . 16519 1 397 . 1 1 31 31 THR CA C 13 59.633 0.3 . 1 . . . . 31 THR CA . 16519 1 398 . 1 1 31 31 THR CB C 13 70.459 0.3 . 1 . . . . 31 THR CB . 16519 1 399 . 1 1 31 31 THR CG2 C 13 22.454 0.3 . 1 . . . . 31 THR CG2 . 16519 1 400 . 1 1 31 31 THR N N 15 119.128 0.3 . 1 . . . . 31 THR N . 16519 1 401 . 1 1 32 32 PRO HA H 1 4.257 0.03 . 1 . . . . 32 PRO HA . 16519 1 402 . 1 1 32 32 PRO HB2 H 1 2.282 0.03 . 2 . . . . 32 PRO HB2 . 16519 1 403 . 1 1 32 32 PRO HB3 H 1 1.827 0.03 . 2 . . . . 32 PRO HB3 . 16519 1 404 . 1 1 32 32 PRO HD2 H 1 3.709 0.03 . 2 . . . . 32 PRO HD2 . 16519 1 405 . 1 1 32 32 PRO HD3 H 1 3.867 0.03 . 2 . . . . 32 PRO HD3 . 16519 1 406 . 1 1 32 32 PRO HG2 H 1 2.067 0.03 . 2 . . . . 32 PRO HG2 . 16519 1 407 . 1 1 32 32 PRO HG3 H 1 1.963 0.03 . 2 . . . . 32 PRO HG3 . 16519 1 408 . 1 1 32 32 PRO C C 13 176.814 0.3 . 1 . . . . 32 PRO C . 16519 1 409 . 1 1 32 32 PRO CA C 13 64.445 0.3 . 1 . . . . 32 PRO CA . 16519 1 410 . 1 1 32 32 PRO CB C 13 32.170 0.3 . 1 . . . . 32 PRO CB . 16519 1 411 . 1 1 32 32 PRO CD C 13 51.346 0.3 . 1 . . . . 32 PRO CD . 16519 1 412 . 1 1 32 32 PRO CG C 13 27.757 0.3 . 1 . . . . 32 PRO CG . 16519 1 413 . 1 1 33 33 ASN H H 1 8.522 0.03 . 1 . . . . 33 ASN H . 16519 1 414 . 1 1 33 33 ASN HA H 1 4.404 0.03 . 1 . . . . 33 ASN HA . 16519 1 415 . 1 1 33 33 ASN HB2 H 1 2.754 0.03 . 2 . . . . 33 ASN HB2 . 16519 1 416 . 1 1 33 33 ASN HB3 H 1 2.798 0.03 . 2 . . . . 33 ASN HB3 . 16519 1 417 . 1 1 33 33 ASN HD21 H 1 7.266 0.03 . 2 . . . . 33 ASN HD21 . 16519 1 418 . 1 1 33 33 ASN HD22 H 1 6.874 0.03 . 2 . . . . 33 ASN HD22 . 16519 1 419 . 1 1 33 33 ASN C C 13 174.344 0.3 . 1 . . . . 33 ASN C . 16519 1 420 . 1 1 33 33 ASN CA C 13 54.945 0.3 . 1 . . . . 33 ASN CA . 16519 1 421 . 1 1 33 33 ASN CB C 13 38.122 0.3 . 1 . . . . 33 ASN CB . 16519 1 422 . 1 1 33 33 ASN N N 15 112.878 0.3 . 1 . . . . 33 ASN N . 16519 1 423 . 1 1 33 33 ASN ND2 N 15 113.756 0.3 . 1 . . . . 33 ASN ND2 . 16519 1 424 . 1 1 34 34 CYS H H 1 7.570 0.03 . 1 . . . . 34 CYS H . 16519 1 425 . 1 1 34 34 CYS HA H 1 4.912 0.03 . 1 . . . . 34 CYS HA . 16519 1 426 . 1 1 34 34 CYS HB2 H 1 3.181 0.03 . 2 . . . . 34 CYS HB2 . 16519 1 427 . 1 1 34 34 CYS HB3 H 1 2.938 0.03 . 2 . . . . 34 CYS HB3 . 16519 1 428 . 1 1 34 34 CYS C C 13 173.880 0.3 . 1 . . . . 34 CYS C . 16519 1 429 . 1 1 34 34 CYS CA C 13 54.810 0.3 . 1 . . . . 34 CYS CA . 16519 1 430 . 1 1 34 34 CYS CB C 13 44.780 0.3 . 1 . . . . 34 CYS CB . 16519 1 431 . 1 1 34 34 CYS N N 15 116.393 0.3 . 1 . . . . 34 CYS N . 16519 1 432 . 1 1 35 35 ALA H H 1 8.438 0.03 . 1 . . . . 35 ALA H . 16519 1 433 . 1 1 35 35 ALA HA H 1 4.269 0.03 . 1 . . . . 35 ALA HA . 16519 1 434 . 1 1 35 35 ALA HB1 H 1 1.448 0.03 . 1 . . . . 35 ALA QB . 16519 1 435 . 1 1 35 35 ALA HB2 H 1 1.448 0.03 . 1 . . . . 35 ALA QB . 16519 1 436 . 1 1 35 35 ALA HB3 H 1 1.448 0.03 . 1 . . . . 35 ALA QB . 16519 1 437 . 1 1 35 35 ALA C C 13 176.677 0.3 . 1 . . . . 35 ALA C . 16519 1 438 . 1 1 35 35 ALA CA C 13 52.413 0.3 . 1 . . . . 35 ALA CA . 16519 1 439 . 1 1 35 35 ALA CB C 13 19.214 0.3 . 1 . . . . 35 ALA CB . 16519 1 440 . 1 1 35 35 ALA N N 15 124.720 0.3 . 1 . . . . 35 ALA N . 16519 1 441 . 1 1 36 36 LEU H H 1 8.017 0.03 . 1 . . . . 36 LEU H . 16519 1 442 . 1 1 36 36 LEU HA H 1 4.267 0.03 . 1 . . . . 36 LEU HA . 16519 1 443 . 1 1 36 36 LEU HB2 H 1 1.463 0.03 . 2 . . . . 36 LEU HB2 . 16519 1 444 . 1 1 36 36 LEU HB3 H 1 1.602 0.03 . 2 . . . . 36 LEU HB3 . 16519 1 445 . 1 1 36 36 LEU HD11 H 1 0.855 0.03 . 2 . . . . 36 LEU QD1 . 16519 1 446 . 1 1 36 36 LEU HD12 H 1 0.855 0.03 . 2 . . . . 36 LEU QD1 . 16519 1 447 . 1 1 36 36 LEU HD13 H 1 0.855 0.03 . 2 . . . . 36 LEU QD1 . 16519 1 448 . 1 1 36 36 LEU HD21 H 1 0.805 0.03 . 2 . . . . 36 LEU QD2 . 16519 1 449 . 1 1 36 36 LEU HD22 H 1 0.805 0.03 . 2 . . . . 36 LEU QD2 . 16519 1 450 . 1 1 36 36 LEU HD23 H 1 0.805 0.03 . 2 . . . . 36 LEU QD2 . 16519 1 451 . 1 1 36 36 LEU HG H 1 1.575 0.03 . 1 . . . . 36 LEU HG . 16519 1 452 . 1 1 36 36 LEU C C 13 176.194 0.3 . 1 . . . . 36 LEU C . 16519 1 453 . 1 1 36 36 LEU CA C 13 56.751 0.3 . 1 . . . . 36 LEU CA . 16519 1 454 . 1 1 36 36 LEU CB C 13 42.838 0.3 . 1 . . . . 36 LEU CB . 16519 1 455 . 1 1 36 36 LEU CD1 C 13 25.310 0.3 . 1 . . . . 36 LEU CD1 . 16519 1 456 . 1 1 36 36 LEU CD2 C 13 25.366 0.3 . 1 . . . . 36 LEU CD2 . 16519 1 457 . 1 1 36 36 LEU CG C 13 27.534 0.3 . 1 . . . . 36 LEU CG . 16519 1 458 . 1 1 36 36 LEU N N 15 120.838 0.3 . 1 . . . . 36 LEU N . 16519 1 459 . 1 1 37 37 GLN H H 1 8.416 0.03 . 1 . . . . 37 GLN H . 16519 1 460 . 1 1 37 37 GLN HA H 1 4.665 0.03 . 1 . . . . 37 GLN HA . 16519 1 461 . 1 1 37 37 GLN HB2 H 1 2.137 0.03 . 2 . . . . 37 GLN HB2 . 16519 1 462 . 1 1 37 37 GLN HB3 H 1 2.050 0.03 . 2 . . . . 37 GLN HB3 . 16519 1 463 . 1 1 37 37 GLN HE21 H 1 7.264 0.03 . 2 . . . . 37 GLN HE21 . 16519 1 464 . 1 1 37 37 GLN HE22 H 1 6.595 0.03 . 2 . . . . 37 GLN HE22 . 16519 1 465 . 1 1 37 37 GLN HG2 H 1 2.462 0.03 . 2 . . . . 37 GLN HG2 . 16519 1 466 . 1 1 37 37 GLN HG3 H 1 2.404 0.03 . 2 . . . . 37 GLN HG3 . 16519 1 467 . 1 1 37 37 GLN C C 13 173.581 0.3 . 1 . . . . 37 GLN C . 16519 1 468 . 1 1 37 37 GLN CA C 13 54.400 0.3 . 1 . . . . 37 GLN CA . 16519 1 469 . 1 1 37 37 GLN CB C 13 32.461 0.3 . 1 . . . . 37 GLN CB . 16519 1 470 . 1 1 37 37 GLN CG C 13 34.102 0.3 . 1 . . . . 37 GLN CG . 16519 1 471 . 1 1 37 37 GLN N N 15 122.684 0.3 . 1 . . . . 37 GLN N . 16519 1 472 . 1 1 37 37 GLN NE2 N 15 110.257 0.3 . 1 . . . . 37 GLN NE2 . 16519 1 473 . 1 1 38 38 ILE H H 1 9.378 0.03 . 1 . . . . 38 ILE H . 16519 1 474 . 1 1 38 38 ILE HA H 1 4.746 0.03 . 1 . . . . 38 ILE HA . 16519 1 475 . 1 1 38 38 ILE HB H 1 1.861 0.03 . 1 . . . . 38 ILE HB . 16519 1 476 . 1 1 38 38 ILE HD11 H 1 0.724 0.03 . 1 . . . . 38 ILE QD1 . 16519 1 477 . 1 1 38 38 ILE HD12 H 1 0.724 0.03 . 1 . . . . 38 ILE QD1 . 16519 1 478 . 1 1 38 38 ILE HD13 H 1 0.724 0.03 . 1 . . . . 38 ILE QD1 . 16519 1 479 . 1 1 38 38 ILE HG12 H 1 1.463 0.03 . 2 . . . . 38 ILE HG12 . 16519 1 480 . 1 1 38 38 ILE HG13 H 1 0.983 0.03 . 2 . . . . 38 ILE HG13 . 16519 1 481 . 1 1 38 38 ILE HG21 H 1 0.708 0.03 . 1 . . . . 38 ILE QG2 . 16519 1 482 . 1 1 38 38 ILE HG22 H 1 0.708 0.03 . 1 . . . . 38 ILE QG2 . 16519 1 483 . 1 1 38 38 ILE HG23 H 1 0.708 0.03 . 1 . . . . 38 ILE QG2 . 16519 1 484 . 1 1 38 38 ILE C C 13 174.547 0.3 . 1 . . . . 38 ILE C . 16519 1 485 . 1 1 38 38 ILE CA C 13 60.700 0.3 . 1 . . . . 38 ILE CA . 16519 1 486 . 1 1 38 38 ILE CB C 13 38.899 0.3 . 1 . . . . 38 ILE CB . 16519 1 487 . 1 1 38 38 ILE CD1 C 13 14.347 0.3 . 1 . . . . 38 ILE CD1 . 16519 1 488 . 1 1 38 38 ILE CG1 C 13 27.584 0.3 . 1 . . . . 38 ILE CG1 . 16519 1 489 . 1 1 38 38 ILE CG2 C 13 18.769 0.3 . 1 . . . . 38 ILE CG2 . 16519 1 490 . 1 1 38 38 ILE N N 15 124.524 0.3 . 1 . . . . 38 ILE N . 16519 1 491 . 1 1 39 39 VAL H H 1 8.871 0.03 . 1 . . . . 39 VAL H . 16519 1 492 . 1 1 39 39 VAL HA H 1 5.080 0.03 . 1 . . . . 39 VAL HA . 16519 1 493 . 1 1 39 39 VAL HB H 1 1.904 0.03 . 1 . . . . 39 VAL HB . 16519 1 494 . 1 1 39 39 VAL HG11 H 1 0.871 0.03 . 2 . . . . 39 VAL QG1 . 16519 1 495 . 1 1 39 39 VAL HG12 H 1 0.871 0.03 . 2 . . . . 39 VAL QG1 . 16519 1 496 . 1 1 39 39 VAL HG13 H 1 0.871 0.03 . 2 . . . . 39 VAL QG1 . 16519 1 497 . 1 1 39 39 VAL HG21 H 1 0.871 0.03 . 2 . . . . 39 VAL QG2 . 16519 1 498 . 1 1 39 39 VAL HG22 H 1 0.871 0.03 . 2 . . . . 39 VAL QG2 . 16519 1 499 . 1 1 39 39 VAL HG23 H 1 0.871 0.03 . 2 . . . . 39 VAL QG2 . 16519 1 500 . 1 1 39 39 VAL C C 13 174.772 0.3 . 1 . . . . 39 VAL C . 16519 1 501 . 1 1 39 39 VAL CA C 13 60.111 0.3 . 1 . . . . 39 VAL CA . 16519 1 502 . 1 1 39 39 VAL CB C 13 34.767 0.3 . 1 . . . . 39 VAL CB . 16519 1 503 . 1 1 39 39 VAL CG1 C 13 20.789 0.3 . 1 . . . . 39 VAL CG1 . 16519 1 504 . 1 1 39 39 VAL N N 15 124.272 0.3 . 1 . . . . 39 VAL N . 16519 1 505 . 1 1 40 40 ALA H H 1 9.245 0.03 . 1 . . . . 40 ALA H . 16519 1 506 . 1 1 40 40 ALA HA H 1 5.356 0.03 . 1 . . . . 40 ALA HA . 16519 1 507 . 1 1 40 40 ALA HB1 H 1 1.320 0.03 . 1 . . . . 40 ALA QB . 16519 1 508 . 1 1 40 40 ALA HB2 H 1 1.320 0.03 . 1 . . . . 40 ALA QB . 16519 1 509 . 1 1 40 40 ALA HB3 H 1 1.320 0.03 . 1 . . . . 40 ALA QB . 16519 1 510 . 1 1 40 40 ALA C C 13 175.955 0.3 . 1 . . . . 40 ALA C . 16519 1 511 . 1 1 40 40 ALA CA C 13 50.093 0.3 . 1 . . . . 40 ALA CA . 16519 1 512 . 1 1 40 40 ALA CB C 13 24.063 0.3 . 1 . . . . 40 ALA CB . 16519 1 513 . 1 1 40 40 ALA N N 15 125.037 0.3 . 1 . . . . 40 ALA N . 16519 1 514 . 1 1 41 41 ARG H H 1 8.336 0.03 . 1 . . . . 41 ARG H . 16519 1 515 . 1 1 41 41 ARG HA H 1 5.137 0.03 . 1 . . . . 41 ARG HA . 16519 1 516 . 1 1 41 41 ARG HB2 H 1 1.703 0.03 . 2 . . . . 41 ARG HB2 . 16519 1 517 . 1 1 41 41 ARG HB3 H 1 1.666 0.03 . 2 . . . . 41 ARG HB3 . 16519 1 518 . 1 1 41 41 ARG HD2 H 1 3.089 0.03 . 2 . . . . 41 ARG HD2 . 16519 1 519 . 1 1 41 41 ARG HD3 H 1 3.089 0.03 . 2 . . . . 41 ARG HD3 . 16519 1 520 . 1 1 41 41 ARG HG2 H 1 1.560 0.03 . 2 . . . . 41 ARG HG2 . 16519 1 521 . 1 1 41 41 ARG HG3 H 1 1.612 0.03 . 2 . . . . 41 ARG HG3 . 16519 1 522 . 1 1 41 41 ARG C C 13 176.184 0.3 . 1 . . . . 41 ARG C . 16519 1 523 . 1 1 41 41 ARG CA C 13 53.900 0.3 . 1 . . . . 41 ARG CA . 16519 1 524 . 1 1 41 41 ARG CB C 13 32.306 0.3 . 1 . . . . 41 ARG CB . 16519 1 525 . 1 1 41 41 ARG CD C 13 43.136 0.3 . 1 . . . . 41 ARG CD . 16519 1 526 . 1 1 41 41 ARG CG C 13 27.307 0.3 . 1 . . . . 41 ARG CG . 16519 1 527 . 1 1 41 41 ARG N N 15 118.987 0.3 . 1 . . . . 41 ARG N . 16519 1 528 . 1 1 42 42 LEU H H 1 9.066 0.03 . 1 . . . . 42 LEU H . 16519 1 529 . 1 1 42 42 LEU HA H 1 5.008 0.03 . 1 . . . . 42 LEU HA . 16519 1 530 . 1 1 42 42 LEU HB2 H 1 1.789 0.03 . 2 . . . . 42 LEU HB2 . 16519 1 531 . 1 1 42 42 LEU HB3 H 1 2.226 0.03 . 2 . . . . 42 LEU HB3 . 16519 1 532 . 1 1 42 42 LEU HD11 H 1 1.030 0.03 . 2 . . . . 42 LEU QD1 . 16519 1 533 . 1 1 42 42 LEU HD12 H 1 1.030 0.03 . 2 . . . . 42 LEU QD1 . 16519 1 534 . 1 1 42 42 LEU HD13 H 1 1.030 0.03 . 2 . . . . 42 LEU QD1 . 16519 1 535 . 1 1 42 42 LEU HD21 H 1 0.796 0.03 . 2 . . . . 42 LEU QD2 . 16519 1 536 . 1 1 42 42 LEU HD22 H 1 0.796 0.03 . 2 . . . . 42 LEU QD2 . 16519 1 537 . 1 1 42 42 LEU HD23 H 1 0.796 0.03 . 2 . . . . 42 LEU QD2 . 16519 1 538 . 1 1 42 42 LEU HG H 1 1.848 0.03 . 1 . . . . 42 LEU HG . 16519 1 539 . 1 1 42 42 LEU C C 13 178.369 0.3 . 1 . . . . 42 LEU C . 16519 1 540 . 1 1 42 42 LEU CA C 13 54.329 0.3 . 1 . . . . 42 LEU CA . 16519 1 541 . 1 1 42 42 LEU CB C 13 41.699 0.3 . 1 . . . . 42 LEU CB . 16519 1 542 . 1 1 42 42 LEU CD1 C 13 26.006 0.3 . 1 . . . . 42 LEU CD1 . 16519 1 543 . 1 1 42 42 LEU CD2 C 13 23.029 0.3 . 1 . . . . 42 LEU CD2 . 16519 1 544 . 1 1 42 42 LEU CG C 13 27.111 0.3 . 1 . . . . 42 LEU CG . 16519 1 545 . 1 1 42 42 LEU N N 15 126.217 0.3 . 1 . . . . 42 LEU N . 16519 1 546 . 1 1 43 43 LYS H H 1 8.498 0.03 . 1 . . . . 43 LYS H . 16519 1 547 . 1 1 43 43 LYS HA H 1 3.903 0.03 . 1 . . . . 43 LYS HA . 16519 1 548 . 1 1 43 43 LYS HB2 H 1 1.906 0.03 . 2 . . . . 43 LYS HB2 . 16519 1 549 . 1 1 43 43 LYS HB3 H 1 1.721 0.03 . 2 . . . . 43 LYS HB3 . 16519 1 550 . 1 1 43 43 LYS HD2 H 1 1.749 0.03 . 2 . . . . 43 LYS HD2 . 16519 1 551 . 1 1 43 43 LYS HD3 H 1 1.749 0.03 . 2 . . . . 43 LYS HD3 . 16519 1 552 . 1 1 43 43 LYS HE2 H 1 2.971 0.03 . 2 . . . . 43 LYS HE2 . 16519 1 553 . 1 1 43 43 LYS HE3 H 1 2.856 0.03 . 2 . . . . 43 LYS HE3 . 16519 1 554 . 1 1 43 43 LYS HG2 H 1 1.316 0.03 . 2 . . . . 43 LYS HG2 . 16519 1 555 . 1 1 43 43 LYS HG3 H 1 1.230 0.03 . 2 . . . . 43 LYS HG3 . 16519 1 556 . 1 1 43 43 LYS CA C 13 59.340 0.3 . 1 . . . . 43 LYS CA . 16519 1 557 . 1 1 43 43 LYS CB C 13 33.445 0.3 . 1 . . . . 43 LYS CB . 16519 1 558 . 1 1 43 43 LYS CD C 13 29.883 0.3 . 1 . . . . 43 LYS CD . 16519 1 559 . 1 1 43 43 LYS CE C 13 42.327 0.3 . 1 . . . . 43 LYS CE . 16519 1 560 . 1 1 43 43 LYS CG C 13 26.938 0.3 . 1 . . . . 43 LYS CG . 16519 1 561 . 1 1 43 43 LYS N N 15 120.063 0.3 . 1 . . . . 43 LYS N . 16519 1 562 . 1 1 44 44 ASN H H 1 8.677 0.03 . 1 . . . . 44 ASN H . 16519 1 563 . 1 1 44 44 ASN HA H 1 4.493 0.03 . 1 . . . . 44 ASN HA . 16519 1 564 . 1 1 44 44 ASN HB2 H 1 2.974 0.03 . 2 . . . . 44 ASN HB2 . 16519 1 565 . 1 1 44 44 ASN HB3 H 1 2.865 0.03 . 2 . . . . 44 ASN HB3 . 16519 1 566 . 1 1 44 44 ASN HD21 H 1 7.595 0.03 . 2 . . . . 44 ASN HD21 . 16519 1 567 . 1 1 44 44 ASN HD22 H 1 6.796 0.03 . 2 . . . . 44 ASN HD22 . 16519 1 568 . 1 1 44 44 ASN C C 13 175.970 0.3 . 1 . . . . 44 ASN C . 16519 1 569 . 1 1 44 44 ASN CA C 13 55.457 0.3 . 1 . . . . 44 ASN CA . 16519 1 570 . 1 1 44 44 ASN CB C 13 37.507 0.3 . 1 . . . . 44 ASN CB . 16519 1 571 . 1 1 44 44 ASN N N 15 115.147 0.3 . 1 . . . . 44 ASN N . 16519 1 572 . 1 1 44 44 ASN ND2 N 15 112.400 0.3 . 1 . . . . 44 ASN ND2 . 16519 1 573 . 1 1 45 45 ASN H H 1 7.641 0.03 . 1 . . . . 45 ASN H . 16519 1 574 . 1 1 45 45 ASN HA H 1 4.712 0.03 . 1 . . . . 45 ASN HA . 16519 1 575 . 1 1 45 45 ASN HB2 H 1 3.005 0.03 . 2 . . . . 45 ASN HB2 . 16519 1 576 . 1 1 45 45 ASN HB3 H 1 2.781 0.03 . 2 . . . . 45 ASN HB3 . 16519 1 577 . 1 1 45 45 ASN HD21 H 1 7.458 0.03 . 2 . . . . 45 ASN HD21 . 16519 1 578 . 1 1 45 45 ASN HD22 H 1 6.526 0.03 . 2 . . . . 45 ASN HD22 . 16519 1 579 . 1 1 45 45 ASN C C 13 175.461 0.3 . 1 . . . . 45 ASN C . 16519 1 580 . 1 1 45 45 ASN CA C 13 52.769 0.3 . 1 . . . . 45 ASN CA . 16519 1 581 . 1 1 45 45 ASN CB C 13 39.203 0.3 . 1 . . . . 45 ASN CB . 16519 1 582 . 1 1 45 45 ASN N N 15 115.591 0.3 . 1 . . . . 45 ASN N . 16519 1 583 . 1 1 45 45 ASN ND2 N 15 109.979 0.3 . 1 . . . . 45 ASN ND2 . 16519 1 584 . 1 1 46 46 ASN H H 1 7.977 0.03 . 1 . . . . 46 ASN H . 16519 1 585 . 1 1 46 46 ASN HA H 1 4.713 0.03 . 1 . . . . 46 ASN HA . 16519 1 586 . 1 1 46 46 ASN HB2 H 1 3.140 0.03 . 2 . . . . 46 ASN HB2 . 16519 1 587 . 1 1 46 46 ASN HB3 H 1 2.709 0.03 . 2 . . . . 46 ASN HB3 . 16519 1 588 . 1 1 46 46 ASN HD21 H 1 7.567 0.03 . 2 . . . . 46 ASN HD21 . 16519 1 589 . 1 1 46 46 ASN HD22 H 1 6.871 0.03 . 2 . . . . 46 ASN HD22 . 16519 1 590 . 1 1 46 46 ASN C C 13 174.812 0.3 . 1 . . . . 46 ASN C . 16519 1 591 . 1 1 46 46 ASN CA C 13 54.491 0.3 . 1 . . . . 46 ASN CA . 16519 1 592 . 1 1 46 46 ASN CB C 13 39.092 0.3 . 1 . . . . 46 ASN CB . 16519 1 593 . 1 1 46 46 ASN N N 15 116.559 0.3 . 1 . . . . 46 ASN N . 16519 1 594 . 1 1 46 46 ASN ND2 N 15 113.088 0.3 . 1 . . . . 46 ASN ND2 . 16519 1 595 . 1 1 47 47 ARG H H 1 7.895 0.03 . 1 . . . . 47 ARG H . 16519 1 596 . 1 1 47 47 ARG HA H 1 4.269 0.03 . 1 . . . . 47 ARG HA . 16519 1 597 . 1 1 47 47 ARG HB2 H 1 1.729 0.03 . 2 . . . . 47 ARG HB2 . 16519 1 598 . 1 1 47 47 ARG HB3 H 1 1.770 0.03 . 2 . . . . 47 ARG HB3 . 16519 1 599 . 1 1 47 47 ARG HD2 H 1 3.221 0.03 . 2 . . . . 47 ARG HD2 . 16519 1 600 . 1 1 47 47 ARG HD3 H 1 3.149 0.03 . 2 . . . . 47 ARG HD3 . 16519 1 601 . 1 1 47 47 ARG HG2 H 1 1.580 0.03 . 2 . . . . 47 ARG HG2 . 16519 1 602 . 1 1 47 47 ARG HG3 H 1 1.630 0.03 . 2 . . . . 47 ARG HG3 . 16519 1 603 . 1 1 47 47 ARG C C 13 175.719 0.3 . 1 . . . . 47 ARG C . 16519 1 604 . 1 1 47 47 ARG CA C 13 57.084 0.3 . 1 . . . . 47 ARG CA . 16519 1 605 . 1 1 47 47 ARG CB C 13 31.785 0.3 . 1 . . . . 47 ARG CB . 16519 1 606 . 1 1 47 47 ARG CD C 13 43.818 0.3 . 1 . . . . 47 ARG CD . 16519 1 607 . 1 1 47 47 ARG CG C 13 27.766 0.3 . 1 . . . . 47 ARG CG . 16519 1 608 . 1 1 47 47 ARG N N 15 119.890 0.3 . 1 . . . . 47 ARG N . 16519 1 609 . 1 1 48 48 GLN H H 1 8.612 0.03 . 1 . . . . 48 GLN H . 16519 1 610 . 1 1 48 48 GLN HA H 1 5.299 0.03 . 1 . . . . 48 GLN HA . 16519 1 611 . 1 1 48 48 GLN HB2 H 1 1.995 0.03 . 2 . . . . 48 GLN HB2 . 16519 1 612 . 1 1 48 48 GLN HB3 H 1 1.873 0.03 . 2 . . . . 48 GLN HB3 . 16519 1 613 . 1 1 48 48 GLN HE21 H 1 7.476 0.03 . 2 . . . . 48 GLN HE21 . 16519 1 614 . 1 1 48 48 GLN HE22 H 1 6.820 0.03 . 2 . . . . 48 GLN HE22 . 16519 1 615 . 1 1 48 48 GLN HG2 H 1 2.119 0.03 . 2 . . . . 48 GLN HG2 . 16519 1 616 . 1 1 48 48 GLN HG3 H 1 2.209 0.03 . 2 . . . . 48 GLN HG3 . 16519 1 617 . 1 1 48 48 GLN C C 13 175.697 0.3 . 1 . . . . 48 GLN C . 16519 1 618 . 1 1 48 48 GLN CA C 13 55.454 0.3 . 1 . . . . 48 GLN CA . 16519 1 619 . 1 1 48 48 GLN CB C 13 30.953 0.3 . 1 . . . . 48 GLN CB . 16519 1 620 . 1 1 48 48 GLN CG C 13 35.396 0.3 . 1 . . . . 48 GLN CG . 16519 1 621 . 1 1 48 48 GLN N N 15 123.239 0.3 . 1 . . . . 48 GLN N . 16519 1 622 . 1 1 48 48 GLN NE2 N 15 111.657 0.3 . 1 . . . . 48 GLN NE2 . 16519 1 623 . 1 1 49 49 VAL H H 1 9.018 0.03 . 1 . . . . 49 VAL H . 16519 1 624 . 1 1 49 49 VAL HA H 1 4.812 0.03 . 1 . . . . 49 VAL HA . 16519 1 625 . 1 1 49 49 VAL HB H 1 2.203 0.03 . 1 . . . . 49 VAL HB . 16519 1 626 . 1 1 49 49 VAL HG11 H 1 0.932 0.03 . 2 . . . . 49 VAL QG1 . 16519 1 627 . 1 1 49 49 VAL HG12 H 1 0.932 0.03 . 2 . . . . 49 VAL QG1 . 16519 1 628 . 1 1 49 49 VAL HG13 H 1 0.932 0.03 . 2 . . . . 49 VAL QG1 . 16519 1 629 . 1 1 49 49 VAL HG21 H 1 0.835 0.03 . 2 . . . . 49 VAL QG2 . 16519 1 630 . 1 1 49 49 VAL HG22 H 1 0.835 0.03 . 2 . . . . 49 VAL QG2 . 16519 1 631 . 1 1 49 49 VAL HG23 H 1 0.835 0.03 . 2 . . . . 49 VAL QG2 . 16519 1 632 . 1 1 49 49 VAL C C 13 174.561 0.3 . 1 . . . . 49 VAL C . 16519 1 633 . 1 1 49 49 VAL CA C 13 59.266 0.3 . 1 . . . . 49 VAL CA . 16519 1 634 . 1 1 49 49 VAL CB C 13 35.845 0.3 . 1 . . . . 49 VAL CB . 16519 1 635 . 1 1 49 49 VAL CG1 C 13 21.789 0.3 . 1 . . . . 49 VAL CG1 . 16519 1 636 . 1 1 49 49 VAL CG2 C 13 18.876 0.3 . 1 . . . . 49 VAL CG2 . 16519 1 637 . 1 1 49 49 VAL N N 15 119.411 0.3 . 1 . . . . 49 VAL N . 16519 1 638 . 1 1 50 50 CYS H H 1 8.855 0.03 . 1 . . . . 50 CYS H . 16519 1 639 . 1 1 50 50 CYS HA H 1 5.607 0.03 . 1 . . . . 50 CYS HA . 16519 1 640 . 1 1 50 50 CYS HB2 H 1 3.733 0.03 . 2 . . . . 50 CYS HB2 . 16519 1 641 . 1 1 50 50 CYS HB3 H 1 3.035 0.03 . 2 . . . . 50 CYS HB3 . 16519 1 642 . 1 1 50 50 CYS C C 13 174.469 0.3 . 1 . . . . 50 CYS C . 16519 1 643 . 1 1 50 50 CYS CA C 13 56.751 0.3 . 1 . . . . 50 CYS CA . 16519 1 644 . 1 1 50 50 CYS CB C 13 44.694 0.3 . 1 . . . . 50 CYS CB . 16519 1 645 . 1 1 50 50 CYS N N 15 120.824 0.3 . 1 . . . . 50 CYS N . 16519 1 646 . 1 1 51 51 ILE H H 1 8.632 0.03 . 1 . . . . 51 ILE H . 16519 1 647 . 1 1 51 51 ILE HA H 1 4.571 0.03 . 1 . . . . 51 ILE HA . 16519 1 648 . 1 1 51 51 ILE HB H 1 1.547 0.03 . 1 . . . . 51 ILE HB . 16519 1 649 . 1 1 51 51 ILE HD11 H 1 0.691 0.03 . 1 . . . . 51 ILE QD1 . 16519 1 650 . 1 1 51 51 ILE HD12 H 1 0.691 0.03 . 1 . . . . 51 ILE QD1 . 16519 1 651 . 1 1 51 51 ILE HD13 H 1 0.691 0.03 . 1 . . . . 51 ILE QD1 . 16519 1 652 . 1 1 51 51 ILE HG12 H 1 1.294 0.03 . 2 . . . . 51 ILE HG12 . 16519 1 653 . 1 1 51 51 ILE HG13 H 1 1.104 0.03 . 2 . . . . 51 ILE HG13 . 16519 1 654 . 1 1 51 51 ILE HG21 H 1 0.730 0.03 . 1 . . . . 51 ILE QG2 . 16519 1 655 . 1 1 51 51 ILE HG22 H 1 0.730 0.03 . 1 . . . . 51 ILE QG2 . 16519 1 656 . 1 1 51 51 ILE HG23 H 1 0.730 0.03 . 1 . . . . 51 ILE QG2 . 16519 1 657 . 1 1 51 51 ILE C C 13 174.137 0.3 . 1 . . . . 51 ILE C . 16519 1 658 . 1 1 51 51 ILE CA C 13 59.671 0.3 . 1 . . . . 51 ILE CA . 16519 1 659 . 1 1 51 51 ILE CB C 13 39.926 0.3 . 1 . . . . 51 ILE CB . 16519 1 660 . 1 1 51 51 ILE CD1 C 13 13.146 0.3 . 1 . . . . 51 ILE CD1 . 16519 1 661 . 1 1 51 51 ILE CG1 C 13 27.630 0.3 . 1 . . . . 51 ILE CG1 . 16519 1 662 . 1 1 51 51 ILE CG2 C 13 18.290 0.3 . 1 . . . . 51 ILE CG2 . 16519 1 663 . 1 1 51 51 ILE N N 15 122.518 0.3 . 1 . . . . 51 ILE N . 16519 1 664 . 1 1 52 52 ASP H H 1 7.716 0.03 . 1 . . . . 52 ASP H . 16519 1 665 . 1 1 52 52 ASP HA H 1 3.704 0.03 . 1 . . . . 52 ASP HA . 16519 1 666 . 1 1 52 52 ASP HB2 H 1 2.261 0.03 . 2 . . . . 52 ASP HB2 . 16519 1 667 . 1 1 52 52 ASP HB3 H 1 2.689 0.03 . 2 . . . . 52 ASP HB3 . 16519 1 668 . 1 1 52 52 ASP CA C 13 51.578 0.3 . 1 . . . . 52 ASP CA . 16519 1 669 . 1 1 52 52 ASP CB C 13 42.384 0.3 . 1 . . . . 52 ASP CB . 16519 1 670 . 1 1 52 52 ASP N N 15 126.322 0.3 . 1 . . . . 52 ASP N . 16519 1 671 . 1 1 53 53 PRO HA H 1 4.046 0.03 . 1 . . . . 53 PRO HA . 16519 1 672 . 1 1 53 53 PRO HB2 H 1 1.979 0.03 . 2 . . . . 53 PRO HB2 . 16519 1 673 . 1 1 53 53 PRO HB3 H 1 1.832 0.03 . 2 . . . . 53 PRO HB3 . 16519 1 674 . 1 1 53 53 PRO HD2 H 1 3.371 0.03 . 2 . . . . 53 PRO HD2 . 16519 1 675 . 1 1 53 53 PRO HD3 H 1 3.678 0.03 . 2 . . . . 53 PRO HD3 . 16519 1 676 . 1 1 53 53 PRO HG2 H 1 1.785 0.03 . 2 . . . . 53 PRO HG2 . 16519 1 677 . 1 1 53 53 PRO HG3 H 1 1.841 0.03 . 2 . . . . 53 PRO HG3 . 16519 1 678 . 1 1 53 53 PRO C C 13 176.274 0.3 . 1 . . . . 53 PRO C . 16519 1 679 . 1 1 53 53 PRO CA C 13 63.546 0.3 . 1 . . . . 53 PRO CA . 16519 1 680 . 1 1 53 53 PRO CB C 13 32.272 0.3 . 1 . . . . 53 PRO CB . 16519 1 681 . 1 1 53 53 PRO CD C 13 50.927 0.3 . 1 . . . . 53 PRO CD . 16519 1 682 . 1 1 53 53 PRO CG C 13 27.303 0.3 . 1 . . . . 53 PRO CG . 16519 1 683 . 1 1 54 54 LYS H H 1 8.043 0.03 . 1 . . . . 54 LYS H . 16519 1 684 . 1 1 54 54 LYS HA H 1 4.012 0.03 . 1 . . . . 54 LYS HA . 16519 1 685 . 1 1 54 54 LYS HB2 H 1 1.741 0.03 . 2 . . . . 54 LYS HB2 . 16519 1 686 . 1 1 54 54 LYS HB3 H 1 1.741 0.03 . 2 . . . . 54 LYS HB3 . 16519 1 687 . 1 1 54 54 LYS HD2 H 1 1.668 0.03 . 2 . . . . 54 LYS HD2 . 16519 1 688 . 1 1 54 54 LYS HD3 H 1 1.668 0.03 . 2 . . . . 54 LYS HD3 . 16519 1 689 . 1 1 54 54 LYS HE2 H 1 3.000 0.03 . 2 . . . . 54 LYS HE2 . 16519 1 690 . 1 1 54 54 LYS HE3 H 1 3.000 0.03 . 2 . . . . 54 LYS HE3 . 16519 1 691 . 1 1 54 54 LYS HG2 H 1 1.334 0.03 . 2 . . . . 54 LYS HG2 . 16519 1 692 . 1 1 54 54 LYS HG3 H 1 1.334 0.03 . 2 . . . . 54 LYS HG3 . 16519 1 693 . 1 1 54 54 LYS C C 13 177.867 0.3 . 1 . . . . 54 LYS C . 16519 1 694 . 1 1 54 54 LYS CA C 13 56.428 0.3 . 1 . . . . 54 LYS CA . 16519 1 695 . 1 1 54 54 LYS CB C 13 31.680 0.3 . 1 . . . . 54 LYS CB . 16519 1 696 . 1 1 54 54 LYS CD C 13 28.756 0.3 . 1 . . . . 54 LYS CD . 16519 1 697 . 1 1 54 54 LYS CE C 13 41.473 0.3 . 1 . . . . 54 LYS CE . 16519 1 698 . 1 1 54 54 LYS CG C 13 25.035 0.3 . 1 . . . . 54 LYS CG . 16519 1 699 . 1 1 54 54 LYS N N 15 114.968 0.3 . 1 . . . . 54 LYS N . 16519 1 700 . 1 1 55 55 LEU H H 1 7.195 0.03 . 1 . . . . 55 LEU H . 16519 1 701 . 1 1 55 55 LEU HA H 1 4.069 0.03 . 1 . . . . 55 LEU HA . 16519 1 702 . 1 1 55 55 LEU HB2 H 1 1.068 0.03 . 2 . . . . 55 LEU HB2 . 16519 1 703 . 1 1 55 55 LEU HB3 H 1 1.281 0.03 . 2 . . . . 55 LEU HB3 . 16519 1 704 . 1 1 55 55 LEU HD11 H 1 1.070 0.03 . 2 . . . . 55 LEU QD1 . 16519 1 705 . 1 1 55 55 LEU HD12 H 1 1.070 0.03 . 2 . . . . 55 LEU QD1 . 16519 1 706 . 1 1 55 55 LEU HD13 H 1 1.070 0.03 . 2 . . . . 55 LEU QD1 . 16519 1 707 . 1 1 55 55 LEU HD21 H 1 1.035 0.03 . 2 . . . . 55 LEU QD2 . 16519 1 708 . 1 1 55 55 LEU HD22 H 1 1.035 0.03 . 2 . . . . 55 LEU QD2 . 16519 1 709 . 1 1 55 55 LEU HD23 H 1 1.035 0.03 . 2 . . . . 55 LEU QD2 . 16519 1 710 . 1 1 55 55 LEU HG H 1 1.818 0.03 . 1 . . . . 55 LEU HG . 16519 1 711 . 1 1 55 55 LEU C C 13 179.221 0.3 . 1 . . . . 55 LEU C . 16519 1 712 . 1 1 55 55 LEU CA C 13 55.781 0.3 . 1 . . . . 55 LEU CA . 16519 1 713 . 1 1 55 55 LEU CB C 13 41.739 0.3 . 1 . . . . 55 LEU CB . 16519 1 714 . 1 1 55 55 LEU CD1 C 13 25.690 0.3 . 1 . . . . 55 LEU CD1 . 16519 1 715 . 1 1 55 55 LEU CD2 C 13 23.386 0.3 . 1 . . . . 55 LEU CD2 . 16519 1 716 . 1 1 55 55 LEU CG C 13 27.180 0.3 . 1 . . . . 55 LEU CG . 16519 1 717 . 1 1 55 55 LEU N N 15 120.866 0.3 . 1 . . . . 55 LEU N . 16519 1 718 . 1 1 56 56 LYS H H 1 8.773 0.03 . 1 . . . . 56 LYS H . 16519 1 719 . 1 1 56 56 LYS HA H 1 3.951 0.03 . 1 . . . . 56 LYS HA . 16519 1 720 . 1 1 56 56 LYS HB2 H 1 2.023 0.03 . 2 . . . . 56 LYS HB2 . 16519 1 721 . 1 1 56 56 LYS HB3 H 1 2.023 0.03 . 2 . . . . 56 LYS HB3 . 16519 1 722 . 1 1 56 56 LYS HD2 H 1 1.792 0.03 . 2 . . . . 56 LYS HD2 . 16519 1 723 . 1 1 56 56 LYS HD3 H 1 1.792 0.03 . 2 . . . . 56 LYS HD3 . 16519 1 724 . 1 1 56 56 LYS HE2 H 1 3.086 0.03 . 2 . . . . 56 LYS HE2 . 16519 1 725 . 1 1 56 56 LYS HE3 H 1 3.086 0.03 . 2 . . . . 56 LYS HE3 . 16519 1 726 . 1 1 56 56 LYS HG2 H 1 1.608 0.03 . 2 . . . . 56 LYS HG2 . 16519 1 727 . 1 1 56 56 LYS HG3 H 1 1.548 0.03 . 2 . . . . 56 LYS HG3 . 16519 1 728 . 1 1 56 56 LYS C C 13 179.161 0.3 . 1 . . . . 56 LYS C . 16519 1 729 . 1 1 56 56 LYS CA C 13 60.318 0.3 . 1 . . . . 56 LYS CA . 16519 1 730 . 1 1 56 56 LYS CB C 13 32.100 0.3 . 1 . . . . 56 LYS CB . 16519 1 731 . 1 1 56 56 LYS CD C 13 29.092 0.3 . 1 . . . . 56 LYS CD . 16519 1 732 . 1 1 56 56 LYS CE C 13 42.327 0.3 . 1 . . . . 56 LYS CE . 16519 1 733 . 1 1 56 56 LYS CG C 13 25.042 0.3 . 1 . . . . 56 LYS CG . 16519 1 734 . 1 1 56 56 LYS N N 15 125.505 0.3 . 1 . . . . 56 LYS N . 16519 1 735 . 1 1 57 57 TRP H H 1 7.869 0.03 . 1 . . . . 57 TRP H . 16519 1 736 . 1 1 57 57 TRP HA H 1 4.663 0.03 . 1 . . . . 57 TRP HA . 16519 1 737 . 1 1 57 57 TRP HB2 H 1 3.654 0.03 . 2 . . . . 57 TRP HB2 . 16519 1 738 . 1 1 57 57 TRP HB3 H 1 3.316 0.03 . 2 . . . . 57 TRP HB3 . 16519 1 739 . 1 1 57 57 TRP HD1 H 1 7.696 0.03 . 1 . . . . 57 TRP HD1 . 16519 1 740 . 1 1 57 57 TRP HE1 H 1 10.316 0.03 . 1 . . . . 57 TRP HE1 . 16519 1 741 . 1 1 57 57 TRP HE3 H 1 6.624 0.03 . 1 . . . . 57 TRP HE3 . 16519 1 742 . 1 1 57 57 TRP HH2 H 1 6.688 0.03 . 1 . . . . 57 TRP HH2 . 16519 1 743 . 1 1 57 57 TRP HZ2 H 1 6.986 0.03 . 1 . . . . 57 TRP HZ2 . 16519 1 744 . 1 1 57 57 TRP HZ3 H 1 7.370 0.03 . 1 . . . . 57 TRP HZ3 . 16519 1 745 . 1 1 57 57 TRP C C 13 178.642 0.3 . 1 . . . . 57 TRP C . 16519 1 746 . 1 1 57 57 TRP CA C 13 58.693 0.3 . 1 . . . . 57 TRP CA . 16519 1 747 . 1 1 57 57 TRP CB C 13 27.954 0.3 . 1 . . . . 57 TRP CB . 16519 1 748 . 1 1 57 57 TRP CD1 C 13 128.405 0.3 . 1 . . . . 57 TRP CD1 . 16519 1 749 . 1 1 57 57 TRP CE3 C 13 121.713 0.3 . 1 . . . . 57 TRP CE3 . 16519 1 750 . 1 1 57 57 TRP CH2 C 13 124.024 0.3 . 1 . . . . 57 TRP CH2 . 16519 1 751 . 1 1 57 57 TRP CZ2 C 13 113.720 0.3 . 1 . . . . 57 TRP CZ2 . 16519 1 752 . 1 1 57 57 TRP CZ3 C 13 121.013 0.3 . 1 . . . . 57 TRP CZ3 . 16519 1 753 . 1 1 57 57 TRP N N 15 113.648 0.3 . 1 . . . . 57 TRP N . 16519 1 754 . 1 1 57 57 TRP NE1 N 15 130.632 0.3 . 1 . . . . 57 TRP NE1 . 16519 1 755 . 1 1 58 58 ILE H H 1 6.333 0.03 . 1 . . . . 58 ILE H . 16519 1 756 . 1 1 58 58 ILE HA H 1 3.625 0.03 . 1 . . . . 58 ILE HA . 16519 1 757 . 1 1 58 58 ILE HB H 1 1.378 0.03 . 1 . . . . 58 ILE HB . 16519 1 758 . 1 1 58 58 ILE HD11 H 1 0.152 0.03 . 1 . . . . 58 ILE QD1 . 16519 1 759 . 1 1 58 58 ILE HD12 H 1 0.152 0.03 . 1 . . . . 58 ILE QD1 . 16519 1 760 . 1 1 58 58 ILE HD13 H 1 0.152 0.03 . 1 . . . . 58 ILE QD1 . 16519 1 761 . 1 1 58 58 ILE HG12 H 1 0.595 0.03 . 2 . . . . 58 ILE HG12 . 16519 1 762 . 1 1 58 58 ILE HG13 H 1 -0.020 0.03 . 2 . . . . 58 ILE HG13 . 16519 1 763 . 1 1 58 58 ILE HG21 H 1 0.603 0.03 . 1 . . . . 58 ILE QG2 . 16519 1 764 . 1 1 58 58 ILE HG22 H 1 0.603 0.03 . 1 . . . . 58 ILE QG2 . 16519 1 765 . 1 1 58 58 ILE HG23 H 1 0.603 0.03 . 1 . . . . 58 ILE QG2 . 16519 1 766 . 1 1 58 58 ILE C C 13 177.104 0.3 . 1 . . . . 58 ILE C . 16519 1 767 . 1 1 58 58 ILE CA C 13 61.928 0.3 . 1 . . . . 58 ILE CA . 16519 1 768 . 1 1 58 58 ILE CB C 13 36.043 0.3 . 1 . . . . 58 ILE CB . 16519 1 769 . 1 1 58 58 ILE CD1 C 13 11.957 0.3 . 1 . . . . 58 ILE CD1 . 16519 1 770 . 1 1 58 58 ILE CG1 C 13 27.624 0.3 . 1 . . . . 58 ILE CG1 . 16519 1 771 . 1 1 58 58 ILE CG2 C 13 17.769 0.3 . 1 . . . . 58 ILE CG2 . 16519 1 772 . 1 1 58 58 ILE N N 15 123.496 0.3 . 1 . . . . 58 ILE N . 16519 1 773 . 1 1 59 59 GLN H H 1 7.653 0.03 . 1 . . . . 59 GLN H . 16519 1 774 . 1 1 59 59 GLN HA H 1 3.865 0.03 . 1 . . . . 59 GLN HA . 16519 1 775 . 1 1 59 59 GLN HB2 H 1 2.204 0.03 . 2 . . . . 59 GLN HB2 . 16519 1 776 . 1 1 59 59 GLN HB3 H 1 2.204 0.03 . 2 . . . . 59 GLN HB3 . 16519 1 777 . 1 1 59 59 GLN HE21 H 1 7.555 0.03 . 2 . . . . 59 GLN HE21 . 16519 1 778 . 1 1 59 59 GLN HE22 H 1 6.746 0.03 . 2 . . . . 59 GLN HE22 . 16519 1 779 . 1 1 59 59 GLN HG2 H 1 2.446 0.03 . 2 . . . . 59 GLN HG2 . 16519 1 780 . 1 1 59 59 GLN HG3 H 1 2.372 0.03 . 2 . . . . 59 GLN HG3 . 16519 1 781 . 1 1 59 59 GLN C C 13 178.933 0.3 . 1 . . . . 59 GLN C . 16519 1 782 . 1 1 59 59 GLN CA C 13 59.663 0.3 . 1 . . . . 59 GLN CA . 16519 1 783 . 1 1 59 59 GLN CB C 13 27.972 0.3 . 1 . . . . 59 GLN CB . 16519 1 784 . 1 1 59 59 GLN CG C 13 34.102 0.3 . 1 . . . . 59 GLN CG . 16519 1 785 . 1 1 59 59 GLN N N 15 120.493 0.3 . 1 . . . . 59 GLN N . 16519 1 786 . 1 1 59 59 GLN NE2 N 15 112.913 0.3 . 1 . . . . 59 GLN NE2 . 16519 1 787 . 1 1 60 60 GLU H H 1 8.078 0.03 . 1 . . . . 60 GLU H . 16519 1 788 . 1 1 60 60 GLU HA H 1 4.128 0.03 . 1 . . . . 60 GLU HA . 16519 1 789 . 1 1 60 60 GLU HB2 H 1 2.244 0.03 . 2 . . . . 60 GLU HB2 . 16519 1 790 . 1 1 60 60 GLU HB3 H 1 2.137 0.03 . 2 . . . . 60 GLU HB3 . 16519 1 791 . 1 1 60 60 GLU HG2 H 1 2.487 0.03 . 2 . . . . 60 GLU HG2 . 16519 1 792 . 1 1 60 60 GLU HG3 H 1 2.301 0.03 . 2 . . . . 60 GLU HG3 . 16519 1 793 . 1 1 60 60 GLU C C 13 178.539 0.3 . 1 . . . . 60 GLU C . 16519 1 794 . 1 1 60 60 GLU CA C 13 59.340 0.3 . 1 . . . . 60 GLU CA . 16519 1 795 . 1 1 60 60 GLU CB C 13 29.896 0.3 . 1 . . . . 60 GLU CB . 16519 1 796 . 1 1 60 60 GLU CG C 13 36.691 0.3 . 1 . . . . 60 GLU CG . 16519 1 797 . 1 1 60 60 GLU N N 15 118.009 0.3 . 1 . . . . 60 GLU N . 16519 1 798 . 1 1 61 61 TYR H H 1 8.040 0.03 . 1 . . . . 61 TYR H . 16519 1 799 . 1 1 61 61 TYR HA H 1 4.257 0.03 . 1 . . . . 61 TYR HA . 16519 1 800 . 1 1 61 61 TYR HB2 H 1 3.400 0.03 . 2 . . . . 61 TYR HB2 . 16519 1 801 . 1 1 61 61 TYR HB3 H 1 3.312 0.03 . 2 . . . . 61 TYR HB3 . 16519 1 802 . 1 1 61 61 TYR HD1 H 1 7.117 0.03 . 1 . . . . 61 TYR HD1 . 16519 1 803 . 1 1 61 61 TYR HD2 H 1 7.117 0.03 . 1 . . . . 61 TYR HD2 . 16519 1 804 . 1 1 61 61 TYR HE1 H 1 6.828 0.03 . 1 . . . . 61 TYR HE1 . 16519 1 805 . 1 1 61 61 TYR HE2 H 1 6.828 0.03 . 1 . . . . 61 TYR HE2 . 16519 1 806 . 1 1 61 61 TYR C C 13 178.157 0.3 . 1 . . . . 61 TYR C . 16519 1 807 . 1 1 61 61 TYR CA C 13 61.605 0.3 . 1 . . . . 61 TYR CA . 16519 1 808 . 1 1 61 61 TYR CB C 13 38.956 0.3 . 1 . . . . 61 TYR CB . 16519 1 809 . 1 1 61 61 TYR CD1 C 13 132.955 0.3 . 1 . . . . 61 TYR CD1 . 16519 1 810 . 1 1 61 61 TYR CE1 C 13 118.332 0.3 . 1 . . . . 61 TYR CE1 . 16519 1 811 . 1 1 61 61 TYR N N 15 120.927 0.3 . 1 . . . . 61 TYR N . 16519 1 812 . 1 1 62 62 LEU H H 1 8.497 0.03 . 1 . . . . 62 LEU H . 16519 1 813 . 1 1 62 62 LEU HA H 1 3.926 0.03 . 1 . . . . 62 LEU HA . 16519 1 814 . 1 1 62 62 LEU HB2 H 1 1.973 0.03 . 2 . . . . 62 LEU HB2 . 16519 1 815 . 1 1 62 62 LEU HB3 H 1 1.464 0.03 . 2 . . . . 62 LEU HB3 . 16519 1 816 . 1 1 62 62 LEU HD11 H 1 0.841 0.03 . 2 . . . . 62 LEU QD1 . 16519 1 817 . 1 1 62 62 LEU HD12 H 1 0.841 0.03 . 2 . . . . 62 LEU QD1 . 16519 1 818 . 1 1 62 62 LEU HD13 H 1 0.841 0.03 . 2 . . . . 62 LEU QD1 . 16519 1 819 . 1 1 62 62 LEU HD21 H 1 0.824 0.03 . 2 . . . . 62 LEU QD2 . 16519 1 820 . 1 1 62 62 LEU HD22 H 1 0.824 0.03 . 2 . . . . 62 LEU QD2 . 16519 1 821 . 1 1 62 62 LEU HD23 H 1 0.824 0.03 . 2 . . . . 62 LEU QD2 . 16519 1 822 . 1 1 62 62 LEU HG H 1 1.964 0.03 . 1 . . . . 62 LEU HG . 16519 1 823 . 1 1 62 62 LEU C C 13 178.678 0.3 . 1 . . . . 62 LEU C . 16519 1 824 . 1 1 62 62 LEU CA C 13 58.040 0.3 . 1 . . . . 62 LEU CA . 16519 1 825 . 1 1 62 62 LEU CB C 13 42.036 0.3 . 1 . . . . 62 LEU CB . 16519 1 826 . 1 1 62 62 LEU CD1 C 13 23.237 0.3 . 1 . . . . 62 LEU CD1 . 16519 1 827 . 1 1 62 62 LEU CD2 C 13 25.887 0.3 . 1 . . . . 62 LEU CD2 . 16519 1 828 . 1 1 62 62 LEU CG C 13 26.984 0.3 . 1 . . . . 62 LEU CG . 16519 1 829 . 1 1 62 62 LEU N N 15 118.747 0.3 . 1 . . . . 62 LEU N . 16519 1 830 . 1 1 63 63 GLU H H 1 7.927 0.03 . 1 . . . . 63 GLU H . 16519 1 831 . 1 1 63 63 GLU HA H 1 4.044 0.03 . 1 . . . . 63 GLU HA . 16519 1 832 . 1 1 63 63 GLU HB2 H 1 2.203 0.03 . 2 . . . . 63 GLU HB2 . 16519 1 833 . 1 1 63 63 GLU HB3 H 1 2.125 0.03 . 2 . . . . 63 GLU HB3 . 16519 1 834 . 1 1 63 63 GLU HG2 H 1 2.449 0.03 . 2 . . . . 63 GLU HG2 . 16519 1 835 . 1 1 63 63 GLU HG3 H 1 2.336 0.03 . 2 . . . . 63 GLU HG3 . 16519 1 836 . 1 1 63 63 GLU C C 13 178.447 0.3 . 1 . . . . 63 GLU C . 16519 1 837 . 1 1 63 63 GLU CA C 13 59.340 0.3 . 1 . . . . 63 GLU CA . 16519 1 838 . 1 1 63 63 GLU CB C 13 29.721 0.3 . 1 . . . . 63 GLU CB . 16519 1 839 . 1 1 63 63 GLU CG C 13 36.502 0.3 . 1 . . . . 63 GLU CG . 16519 1 840 . 1 1 63 63 GLU N N 15 118.201 0.3 . 1 . . . . 63 GLU N . 16519 1 841 . 1 1 64 64 LYS H H 1 7.672 0.03 . 1 . . . . 64 LYS H . 16519 1 842 . 1 1 64 64 LYS HA H 1 4.204 0.03 . 1 . . . . 64 LYS HA . 16519 1 843 . 1 1 64 64 LYS HB2 H 1 1.884 0.03 . 2 . . . . 64 LYS HB2 . 16519 1 844 . 1 1 64 64 LYS HB3 H 1 1.884 0.03 . 2 . . . . 64 LYS HB3 . 16519 1 845 . 1 1 64 64 LYS HD2 H 1 1.709 0.03 . 2 . . . . 64 LYS HD2 . 16519 1 846 . 1 1 64 64 LYS HD3 H 1 1.709 0.03 . 2 . . . . 64 LYS HD3 . 16519 1 847 . 1 1 64 64 LYS HE2 H 1 3.000 0.03 . 2 . . . . 64 LYS HE2 . 16519 1 848 . 1 1 64 64 LYS HE3 H 1 3.000 0.03 . 2 . . . . 64 LYS HE3 . 16519 1 849 . 1 1 64 64 LYS HG2 H 1 1.489 0.03 . 2 . . . . 64 LYS HG2 . 16519 1 850 . 1 1 64 64 LYS HG3 H 1 1.597 0.03 . 2 . . . . 64 LYS HG3 . 16519 1 851 . 1 1 64 64 LYS C C 13 177.941 0.3 . 1 . . . . 64 LYS C . 16519 1 852 . 1 1 64 64 LYS CA C 13 58.046 0.3 . 1 . . . . 64 LYS CA . 16519 1 853 . 1 1 64 64 LYS CB C 13 32.620 0.3 . 1 . . . . 64 LYS CB . 16519 1 854 . 1 1 64 64 LYS CD C 13 29.243 0.3 . 1 . . . . 64 LYS CD . 16519 1 855 . 1 1 64 64 LYS CE C 13 42.340 0.3 . 1 . . . . 64 LYS CE . 16519 1 856 . 1 1 64 64 LYS CG C 13 25.690 0.3 . 1 . . . . 64 LYS CG . 16519 1 857 . 1 1 64 64 LYS N N 15 117.493 0.3 . 1 . . . . 64 LYS N . 16519 1 858 . 1 1 65 65 ALA H H 1 7.994 0.03 . 1 . . . . 65 ALA H . 16519 1 859 . 1 1 65 65 ALA HA H 1 4.135 0.03 . 1 . . . . 65 ALA HA . 16519 1 860 . 1 1 65 65 ALA HB1 H 1 1.253 0.03 . 1 . . . . 65 ALA QB . 16519 1 861 . 1 1 65 65 ALA HB2 H 1 1.253 0.03 . 1 . . . . 65 ALA QB . 16519 1 862 . 1 1 65 65 ALA HB3 H 1 1.253 0.03 . 1 . . . . 65 ALA QB . 16519 1 863 . 1 1 65 65 ALA C C 13 178.624 0.3 . 1 . . . . 65 ALA C . 16519 1 864 . 1 1 65 65 ALA CA C 13 54.160 0.3 . 1 . . . . 65 ALA CA . 16519 1 865 . 1 1 65 65 ALA CB C 13 19.082 0.3 . 1 . . . . 65 ALA CB . 16519 1 866 . 1 1 65 65 ALA N N 15 120.861 0.3 . 1 . . . . 65 ALA N . 16519 1 867 . 1 1 66 66 LEU H H 1 7.801 0.03 . 1 . . . . 66 LEU H . 16519 1 868 . 1 1 66 66 LEU HA H 1 4.352 0.03 . 1 . . . . 66 LEU HA . 16519 1 869 . 1 1 66 66 LEU HB2 H 1 1.779 0.03 . 2 . . . . 66 LEU HB2 . 16519 1 870 . 1 1 66 66 LEU HB3 H 1 1.683 0.03 . 2 . . . . 66 LEU HB3 . 16519 1 871 . 1 1 66 66 LEU HD11 H 1 0.850 0.03 . 2 . . . . 66 LEU QD1 . 16519 1 872 . 1 1 66 66 LEU HD12 H 1 0.850 0.03 . 2 . . . . 66 LEU QD1 . 16519 1 873 . 1 1 66 66 LEU HD13 H 1 0.850 0.03 . 2 . . . . 66 LEU QD1 . 16519 1 874 . 1 1 66 66 LEU HD21 H 1 0.850 0.03 . 2 . . . . 66 LEU QD2 . 16519 1 875 . 1 1 66 66 LEU HD22 H 1 0.850 0.03 . 2 . . . . 66 LEU QD2 . 16519 1 876 . 1 1 66 66 LEU HD23 H 1 0.850 0.03 . 2 . . . . 66 LEU QD2 . 16519 1 877 . 1 1 66 66 LEU HG H 1 1.788 0.03 . 1 . . . . 66 LEU HG . 16519 1 878 . 1 1 66 66 LEU CA C 13 55.900 0.3 . 1 . . . . 66 LEU CA . 16519 1 879 . 1 1 66 66 LEU CB C 13 42.500 0.3 . 1 . . . . 66 LEU CB . 16519 1 880 . 1 1 66 66 LEU CD1 C 13 23.740 0.3 . 1 . . . . 66 LEU CD1 . 16519 1 881 . 1 1 66 66 LEU CG C 13 27.178 0.3 . 1 . . . . 66 LEU CG . 16519 1 882 . 1 1 66 66 LEU N N 15 115.905 0.3 . 1 . . . . 66 LEU N . 16519 1 883 . 1 1 67 67 ASN H H 1 7.766 0.03 . 1 . . . . 67 ASN H . 16519 1 884 . 1 1 67 67 ASN HA H 1 4.892 0.03 . 1 . . . . 67 ASN HA . 16519 1 885 . 1 1 67 67 ASN HB2 H 1 2.943 0.03 . 2 . . . . 67 ASN HB2 . 16519 1 886 . 1 1 67 67 ASN HB3 H 1 2.807 0.03 . 2 . . . . 67 ASN HB3 . 16519 1 887 . 1 1 67 67 ASN HD21 H 1 7.712 0.03 . 2 . . . . 67 ASN HD21 . 16519 1 888 . 1 1 67 67 ASN HD22 H 1 7.074 0.03 . 2 . . . . 67 ASN HD22 . 16519 1 889 . 1 1 67 67 ASN C C 13 174.039 0.3 . 1 . . . . 67 ASN C . 16519 1 890 . 1 1 67 67 ASN CA C 13 53.434 0.3 . 1 . . . . 67 ASN CA . 16519 1 891 . 1 1 67 67 ASN CB C 13 40.250 0.3 . 1 . . . . 67 ASN CB . 16519 1 892 . 1 1 67 67 ASN N N 15 118.066 0.3 . 1 . . . . 67 ASN N . 16519 1 893 . 1 1 67 67 ASN ND2 N 15 113.408 0.3 . 1 . . . . 67 ASN ND2 . 16519 1 894 . 1 1 68 68 LYS H H 1 7.654 0.03 . 1 . . . . 68 LYS H . 16519 1 895 . 1 1 68 68 LYS HA H 1 4.190 0.03 . 1 . . . . 68 LYS HA . 16519 1 896 . 1 1 68 68 LYS HB2 H 1 1.881 0.03 . 2 . . . . 68 LYS HB2 . 16519 1 897 . 1 1 68 68 LYS HB3 H 1 1.787 0.03 . 2 . . . . 68 LYS HB3 . 16519 1 898 . 1 1 68 68 LYS HD2 H 1 1.727 0.03 . 2 . . . . 68 LYS HD2 . 16519 1 899 . 1 1 68 68 LYS HD3 H 1 1.727 0.03 . 2 . . . . 68 LYS HD3 . 16519 1 900 . 1 1 68 68 LYS HE2 H 1 3.033 0.03 . 2 . . . . 68 LYS HE2 . 16519 1 901 . 1 1 68 68 LYS HE3 H 1 3.033 0.03 . 2 . . . . 68 LYS HE3 . 16519 1 902 . 1 1 68 68 LYS HG2 H 1 1.442 0.03 . 2 . . . . 68 LYS HG2 . 16519 1 903 . 1 1 68 68 LYS HG3 H 1 1.442 0.03 . 2 . . . . 68 LYS HG3 . 16519 1 904 . 1 1 68 68 LYS C C 13 181.391 0.3 . 1 . . . . 68 LYS C . 16519 1 905 . 1 1 68 68 LYS CA C 13 57.899 0.3 . 1 . . . . 68 LYS CA . 16519 1 906 . 1 1 68 68 LYS CB C 13 33.781 0.3 . 1 . . . . 68 LYS CB . 16519 1 907 . 1 1 68 68 LYS CD C 13 29.243 0.3 . 1 . . . . 68 LYS CD . 16519 1 908 . 1 1 68 68 LYS CE C 13 42.327 0.3 . 1 . . . . 68 LYS CE . 16519 1 909 . 1 1 68 68 LYS CG C 13 24.819 0.3 . 1 . . . . 68 LYS CG . 16519 1 910 . 1 1 68 68 LYS N N 15 126.322 0.3 . 1 . . . . 68 LYS N . 16519 1 stop_ save_